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Phenylpropane

Organische Verbindung, die eine Propankette mit einer Phenylsubstitution in folgender Struktur enthält: C₆Hâ‚…CHâ‚‚CH2CH3. Diese Verbindungen gelten als Kohlenwasserstoffe.

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Benzethoniumchlorid 97 %, Thermo Scientific Chemicals

CAS: 121-54-0 Summenformel: C27H42ClNO2 Molekulargewicht (g/mol): 448.08 MDL-Nummer: MFCD00011742 InChI-Schlüssel: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264 IUPAC-Name: Benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chlorid SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

InChI-Schlüssel UREZNYTWGJKWBI-UHFFFAOYSA-M
IUPAC-Name Benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chlorid
PubChem CID 8478
CAS 121-54-0
ChEBI CHEBI:31264
MDL-Nummer MFCD00011742
Molekulargewicht (g/mol) 448.08
SMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Synonym benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
Summenformel C27H42ClNO2
2

Thermo Scientific Chemicals Xylometazolin-Hydrochlorid, 98 %

CAS: 1218-35-5 Summenformel: C16H24N2·HCL Molekulargewicht (g/mol): 280.84 InChI-Schlüssel: YGWFCQYETHJKNX-UHFFFAOYSA-N Synonym: xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride PubChem CID: 5282386 IUPAC-Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazol;hydrochlorid SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl

InChI-Schlüssel YGWFCQYETHJKNX-UHFFFAOYSA-N
IUPAC-Name 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazol;hydrochlorid
PubChem CID 5282386
CAS 1218-35-5
Molekulargewicht (g/mol) 280.84
SMILES CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl
Synonym xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride
Summenformel C16H24N2·HCL
3

Benzethoniumchlorid, 97 %, Thermo Scientific Chemicals

CAS: 121-54-0 Summenformel: C27H42ClNO2 MDL-Nummer: MFCD00011742 InChI-Schlüssel: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264

InChI-Schlüssel UREZNYTWGJKWBI-UHFFFAOYSA-M
PubChem CID 8478
CAS 121-54-0
ChEBI CHEBI:31264
MDL-Nummer MFCD00011742
Synonym benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
Summenformel C27H42ClNO2
4

4-tert-Butylbenzylchlorid, 99 %, Thermo Scientific Chemicals

CAS: 19692-45-6 Summenformel: C11H15Cl Molekulargewicht (g/mol): 182.69 MDL-Nummer: MFCD00000918 InChI-Schlüssel: WAXIFMGAKWIFDQ-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene PubChem CID: 88198 IUPAC-Name: 1-tert-butyl-4-(Chlormethyl)benzol SMILES: CC(C)(C)C1=CC=C(CCl)C=C1

InChI-Schlüssel WAXIFMGAKWIFDQ-UHFFFAOYSA-N
IUPAC-Name 1-tert-butyl-4-(Chlormethyl)benzol
PubChem CID 88198
CAS 19692-45-6
MDL-Nummer MFCD00000918
Molekulargewicht (g/mol) 182.69
SMILES CC(C)(C)C1=CC=C(CCl)C=C1
Synonym 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene
Summenformel C11H15Cl
5

Amorolfin-Hydrochlorid, 98 %, Thermo Scientific Chemicals

CAS: 78613-38-4 Summenformel: C21H35NO·HCl Molekulargewicht (g/mol): 353.97 InChI-Schlüssel: XZKWIPVTHGWDCF-KUZYQSSXSA-N Synonym: amorolfine hydrochloride,amorolfine hcl,loceryl,curanail,locetar,odenil,amorolfin,pekiron,amorolfine hydrochloride jan PubChem CID: 54259 ChEBI: CHEBI:59649 IUPAC-Name: (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholin;hydrochlorid SMILES: CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C.Cl

InChI-Schlüssel XZKWIPVTHGWDCF-KUZYQSSXSA-N
IUPAC-Name (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholin;hydrochlorid
PubChem CID 54259
CAS 78613-38-4
ChEBI CHEBI:59649
Molekulargewicht (g/mol) 353.97
SMILES CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C.Cl
Synonym amorolfine hydrochloride,amorolfine hcl,loceryl,curanail,locetar,odenil,amorolfin,pekiron,amorolfine hydrochloride jan
Summenformel C21H35NO·HCl
6

4-tert-Butylphenoxyacetylchlorid, 98 %, Thermo Scientific Chemicals

CAS: 90734-55-7 Summenformel: C12H15ClO2 Molekulargewicht (g/mol): 226.70 MDL-Nummer: MFCD00798568 InChI-Schlüssel: CFTNMBDQWVPSHI-UHFFFAOYSA-N Synonym: 4-tert-butylphenoxyacetyl chloride,4-tert-butylphenoxy acetyl chloride,2-4-tert-butylphenoxy acetyl chloride,2-4-tert-butyl phenoxy acetyl chloride,pubchem14851,4-tert-butylphenoxyacetyl cloride,para-t-butylphenoxyacetyl chloride,4-t-butyl-phenoxy acetyl chloride,4-tert-butyl-phenoxyacetyl chloride PubChem CID: 611195 IUPAC-Name: 2-(4-tert-butylphenoxy)acetyl chloride SMILES: CC(C)(C)C1=CC=C(OCC(Cl)=O)C=C1

InChI-Schlüssel CFTNMBDQWVPSHI-UHFFFAOYSA-N
IUPAC-Name 2-(4-tert-butylphenoxy)acetyl chloride
PubChem CID 611195
CAS 90734-55-7
MDL-Nummer MFCD00798568
Molekulargewicht (g/mol) 226.70
SMILES CC(C)(C)C1=CC=C(OCC(Cl)=O)C=C1
Synonym 4-tert-butylphenoxyacetyl chloride,4-tert-butylphenoxy acetyl chloride,2-4-tert-butylphenoxy acetyl chloride,2-4-tert-butyl phenoxy acetyl chloride,pubchem14851,4-tert-butylphenoxyacetyl cloride,para-t-butylphenoxyacetyl chloride,4-t-butyl-phenoxy acetyl chloride,4-tert-butyl-phenoxyacetyl chloride
Summenformel C12H15ClO2
8

Isoxsuprine Hydrochloride, TRC

CAS: 579-56-6 Summenformel: C18 H23 N O3 . Cl H Molekulargewicht (g/mol): 337.84 Synonym: Isoxsuprine Hydrochloride,(1RS,2SR)-1-(4-Hydroxyphenyl)-2-[[(1SR)-1-methyl-2-phenoxyethyl]amino]propan-1-ol hydrochloride,Benzenemethanol, 4-hydroxy-α-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride (1:1),Benzenemethanol, 4-hydroxy-α-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride (9CI),Benzyl alcohol, p-hydroxy-α-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride (8CI),Norephedrine, p-hydroxy-N-(1-methyl-2-phenoxyethyl)-, hydrochloride (6CI),1-(p-Hydroxyphenyl)-2-(1'-methyl-2'-phenoxy)ethylaminopropanol-1 hydrochloride,Dilavase,Divadilan,Duvadilan,Duviculine,Isolait,Isoxsuprin hydrochloride,Navilox,Suprilent,Suprox SR,Tidilan,Vadosilan,Vasodilan,Vasoplex,Vasotran IUPAC-Name: 4-[(1R,2S)-1-hydroxy-2-[[(2S)-1-phenoxypropan-2-yl]amino]propyl]phenol;hydrochloride SMILES: Cl.C[C@@H](COc1ccccc1)N[C@@H](C)[C@H](O)c2ccc(O)cc2

IUPAC-Name 4-[(1R,2S)-1-hydroxy-2-[[(2S)-1-phenoxypropan-2-yl]amino]propyl]phenol;hydrochloride
CAS 579-56-6
Molekulargewicht (g/mol) 337.84
SMILES Cl.C[C@@H](COc1ccccc1)N[C@@H](C)[C@H](O)c2ccc(O)cc2
Synonym Isoxsuprine Hydrochloride,(1RS,2SR)-1-(4-Hydroxyphenyl)-2-[[(1SR)-1-methyl-2-phenoxyethyl]amino]propan-1-ol hydrochloride,Benzenemethanol, 4-hydroxy-α-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride (1:1),Benzenemethanol, 4-hydroxy-α-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride (9CI),Benzyl alcohol, p-hydroxy-α-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride (8CI),Norephedrine, p-hydroxy-N-(1-methyl-2-phenoxyethyl)-, hydrochloride (6CI),1-(p-Hydroxyphenyl)-2-(1'-methyl-2'-phenoxy)ethylaminopropanol-1 hydrochloride,Dilavase,Divadilan,Duvadilan,Duviculine,Isolait,Isoxsuprin hydrochloride,Navilox,Suprilent,Suprox SR,Tidilan,Vadosilan,Vasodilan,Vasoplex,Vasotran
Summenformel C18 H23 N O3 . Cl H
9

rac 4-Hydroxy Ephedrine Hydrochloride, TRC

CAS: 942-51-8 Summenformel: C10 H15 N O2 . Cl H Molekulargewicht (g/mol): 217.69 Synonym: Oxilofrine hydrochloride,Benzenemethanol, 4-hydroxy-α-[1-(methylamino)ethyl]-, hydrochloride, (R*,S*)- (9CI),4-Hydroxyephedrinehydrochloride,Suprifen hydrochloride,p-Hydroxyephedrine hydrochloride IUPAC-Name: 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol;hydrochloride SMILES: Cl.CN[C@@H](C)[C@H](O)c1ccc(O)cc1

IUPAC-Name 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol;hydrochloride
CAS 942-51-8
Molekulargewicht (g/mol) 217.69
SMILES Cl.CN[C@@H](C)[C@H](O)c1ccc(O)cc1
Synonym Oxilofrine hydrochloride,Benzenemethanol, 4-hydroxy-α-[1-(methylamino)ethyl]-, hydrochloride, (R*,S*)- (9CI),4-Hydroxyephedrinehydrochloride,Suprifen hydrochloride,p-Hydroxyephedrine hydrochloride
Summenformel C10 H15 N O2 . Cl H
10

alpha-Isopropylbenzylamine Hydrochloride, TRC

CAS: 24290-47-9 Summenformel: C10H15N•HCl Molekulargewicht (g/mol): 149.233646 Synonym: (2-Methyl-1-phenylpropyl)amine Hydrochloride,α-(1-Methylethyl)Benzenemethanamine Hydrochloride,α-Isopropylbenzylamine Hydrochloride,α-Isopropyl-benzylamine Hydrochloride; IUPAC-Name: 2-methyl-1-phenylpropan-1-amine;hydrochloride SMILES: CC(C)C(C1=CC=CC=C1)N.Cl

IUPAC-Name 2-methyl-1-phenylpropan-1-amine;hydrochloride
CAS 24290-47-9
Molekulargewicht (g/mol) 149.233646
SMILES CC(C)C(C1=CC=CC=C1)N.Cl
Synonym (2-Methyl-1-phenylpropyl)amine Hydrochloride,α-(1-Methylethyl)Benzenemethanamine Hydrochloride,α-Isopropylbenzylamine Hydrochloride,α-Isopropyl-benzylamine Hydrochloride;
Summenformel C10H15N•HCl
11

2-(Dimethylamino)-2-phenylbutanol Hydrochloride, TRC

CAS: 60577-23-3 Summenformel: C12 H19 N O . Cl H Molekulargewicht (g/mol): 229.75 Synonym: (2RS)-2-(Dimethylamino)-2-phenylbutanol Hydrochloride,Trimebutine Imp. A (EP) as Hydrochloride IUPAC-Name: 2-(dimethylamino)-2-phenylbutan-1-ol;hydrochloride SMILES: Cl.CCC(CO)(N(C)C)c1ccccc1

IUPAC-Name 2-(dimethylamino)-2-phenylbutan-1-ol;hydrochloride
CAS 60577-23-3
Molekulargewicht (g/mol) 229.75
SMILES Cl.CCC(CO)(N(C)C)c1ccccc1
Synonym (2RS)-2-(Dimethylamino)-2-phenylbutanol Hydrochloride,Trimebutine Imp. A (EP) as Hydrochloride
Summenformel C12 H19 N O . Cl H
12

rac-erythro-Dihydro Bupropion Hydrochloride, TRC

CAS: 80478-43-9 Summenformel: C13 H20 Cl N O . HCl Molekulargewicht (g/mol): 278.22 Synonym: rac erythro-2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-ol Hydrochloride SMILES: ClC1=CC([C@@H](O)[C@H](C)NC(C)(C)C)=CC=C1.Cl

CAS 80478-43-9
Molekulargewicht (g/mol) 278.22
SMILES ClC1=CC([C@@H](O)[C@H](C)NC(C)(C)C)=CC=C1.Cl
Synonym rac erythro-2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-ol Hydrochloride
Summenformel C13 H20 Cl N O . HCl
13

(-)-Methylephedrine Hydrochloride, TRC

CAS: 38455-90-2 Summenformel: C11H17NOClH Molekulargewicht (g/mol): 215.7 Synonym: (αR)-α-[(1S)-1-(Dimethylamino)ethyl]benzenemethanol hydrochloride (1:1),[R-(R*,S*)]-α-[1-(Dimethylamino)ethyl]benzenemethanol hydrochloride,(-)-Methylephedrine hydrochloride,L-erythro-Methylephedrine hydrochloride,Methy F,N-Methylephedrine hydrochloride,NSC 42289,L-N-Methylephedrine hydrochloride IUPAC-Name: (1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride SMILES: Cl.C[C@@H]([C@H](O)c1ccccc1)N(C)C

IUPAC-Name (1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CAS 38455-90-2
Molekulargewicht (g/mol) 215.7
SMILES Cl.C[C@@H]([C@H](O)c1ccccc1)N(C)C
Synonym (αR)-α-[(1S)-1-(Dimethylamino)ethyl]benzenemethanol hydrochloride (1:1),[R-(R*,S*)]-α-[1-(Dimethylamino)ethyl]benzenemethanol hydrochloride,(-)-Methylephedrine hydrochloride,L-erythro-Methylephedrine hydrochloride,Methy F,N-Methylephedrine hydrochloride,NSC 42289,L-N-Methylephedrine hydrochloride
Summenformel C11H17NOClH
14

(R,R)-Dihydro Bupropion Hydrochloride, TRC

CAS: 357637-18-4 Summenformel: C13 H20 Cl N O . HCl Molekulargewicht (g/mol): 278.22 Synonym: (alphaR)-3-Chloro-alpha-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]-benzenemethanol Hydrochloride,(alphaR)-3-Chloro-alpha-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]-benzenemethanol Hydrochloride IUPAC-Name: (1R,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol;hydrochloride SMILES: Cl.C[C@@H](NC(C)(C)C)[C@H](O)c1cccc(Cl)c1

IUPAC-Name (1R,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol;hydrochloride
CAS 357637-18-4
Molekulargewicht (g/mol) 278.22
SMILES Cl.C[C@@H](NC(C)(C)C)[C@H](O)c1cccc(Cl)c1
Synonym (alphaR)-3-Chloro-alpha-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]-benzenemethanol Hydrochloride,(alphaR)-3-Chloro-alpha-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]-benzenemethanol Hydrochloride
Summenformel C13 H20 Cl N O . HCl
15

(2R,6S)-rel-2,6-Dimethyl-4-(2-methyl-3-phenylpropyl)morpholine Hydrochloride, TRC

CAS: 922734-43-8 Summenformel: C16H26ClNO Molekulargewicht (g/mol): 283.84 Synonym: (±)-2,6-cis-Dimethyl-4-(2-methyl-3-phenylpropyl)-morpholine Hydrochloride,Amorolfine EP Impurity C SMILES: Cl.CC(CN1C[C@@H](C)O[C@@H](C)C1)Cc2ccccc2

CAS 922734-43-8
Molekulargewicht (g/mol) 283.84
SMILES Cl.CC(CN1C[C@@H](C)O[C@@H](C)C1)Cc2ccccc2
Synonym (±)-2,6-cis-Dimethyl-4-(2-methyl-3-phenylpropyl)-morpholine Hydrochloride,Amorolfine EP Impurity C
Summenformel C16H26ClNO