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Acylaminobenzoesäure und Derivate

Organische Verbindungen, die aus einer Benzoesäure mit einer Acylaminosubstitution bestehen; eine Acylaminosubstitution besteht aus einem Kohlenstoffatom, das mit einer Carbonylgruppe verbunden ist und mit einem Stickstoffatom verbunden ist, das mit einem Wasserstoffatom und einer organischen Gruppe verbunden ist.

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1

3-Acetamidobenzoesäure, 98 %, Thermo Scientific Chemicals

CAS: 587-48-4 Summenformel: C9H9NO3 Molekulargewicht (g/mol): 179.175 MDL-Nummer: MFCD00013983 InChI-Schlüssel: RGDPZMQZWZMONQ-UHFFFAOYSA-N Synonym: 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide PubChem CID: 48847 IUPAC-Name: 3-acetamidobenzoesäure SMILES: CC(=O)NC1=CC=CC(=C1)C(=O)O

InChI-Schlüssel RGDPZMQZWZMONQ-UHFFFAOYSA-N
IUPAC-Name 3-acetamidobenzoesäure
PubChem CID 48847
CAS 587-48-4
MDL-Nummer MFCD00013983
Molekulargewicht (g/mol) 179.175
SMILES CC(=O)NC1=CC=CC(=C1)C(=O)O
Synonym 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide
Summenformel C9H9NO3
2

N-Succinimidyl-3-maleimidobenzoat, 95 %, Thermo Scientific Chemicals

CAS: 58626-38-3 Summenformel: C15H10N2O6 Molekulargewicht (g/mol): 314.253 MDL-Nummer: MFCD00005514 InChI-Schlüssel: LLXVXPPXELIDGQ-UHFFFAOYSA-N Synonym: 3-maleimidobenzoic acid n-hydroxysuccinimide ester,n-succinimidyl 3-maleimidobenzoate,3-maleimidobenzoyl n-hydroxysuccinimide,1-3-2,5-dioxopyrrolidinyl oxy carbonyl phenyl-1h-pyrrole-2,5-dione,m-maleimidobenzoyl-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxopyrrol-1-yl benzoate,3-n-maleimidobenzoic acid n-succinimidyl ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl benzoate,ambotzpeg2090 PubChem CID: 93861 IUPAC-Name: (2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)benzoat SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O

InChI-Schlüssel LLXVXPPXELIDGQ-UHFFFAOYSA-N
IUPAC-Name (2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)benzoat
PubChem CID 93861
CAS 58626-38-3
MDL-Nummer MFCD00005514
Molekulargewicht (g/mol) 314.253
SMILES C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O
Synonym 3-maleimidobenzoic acid n-hydroxysuccinimide ester,n-succinimidyl 3-maleimidobenzoate,3-maleimidobenzoyl n-hydroxysuccinimide,1-3-2,5-dioxopyrrolidinyl oxy carbonyl phenyl-1h-pyrrole-2,5-dione,m-maleimidobenzoyl-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxopyrrol-1-yl benzoate,3-n-maleimidobenzoic acid n-succinimidyl ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl benzoate,ambotzpeg2090
Summenformel C15H10N2O6
3

Methyl2-(acetylamino)-3-Nitrobenzoat, 97 %, Thermo Scientific™

CAS: 95067-27-9 Summenformel: C10H10N2O5 Molekulargewicht (g/mol): 238.20 MDL-Nummer: MFCD00157613 InChI-Schlüssel: PHFRWNCHBPVTJN-UHFFFAOYSA-N Synonym: methyl 2-acetylamino-3-nitrobenzoate,methyl 2-acetamido-3-nitro-benzoate,2-acetylamino-3-nitro-benzoic acid methyl ester,2-acetamido-3-nitrobenzoic acid methyl ester,methyl-2-acetylamino-3-nitrobenzoate,methyl2-acetylamino-3-nitrobenzoate,2-acetylamino-3-nitrobenzoic acid methyl ester PubChem CID: 2782278 IUPAC-Name: Methyl-2-acetamido-3-nitrobenzoat SMILES: COC(=O)C1=C(NC(C)=O)C(=CC=C1)[N+]([O-])=O

InChI-Schlüssel PHFRWNCHBPVTJN-UHFFFAOYSA-N
IUPAC-Name Methyl-2-acetamido-3-nitrobenzoat
PubChem CID 2782278
CAS 95067-27-9
MDL-Nummer MFCD00157613
Molekulargewicht (g/mol) 238.20
SMILES COC(=O)C1=C(NC(C)=O)C(=CC=C1)[N+]([O-])=O
Synonym methyl 2-acetylamino-3-nitrobenzoate,methyl 2-acetamido-3-nitro-benzoate,2-acetylamino-3-nitro-benzoic acid methyl ester,2-acetamido-3-nitrobenzoic acid methyl ester,methyl-2-acetylamino-3-nitrobenzoate,methyl2-acetylamino-3-nitrobenzoate,2-acetylamino-3-nitrobenzoic acid methyl ester
Summenformel C10H10N2O5
4

4-Acetylamino-3-hydroxybenzoic Acid Ethyl Ester, TRC

CAS: 1346604-18-9 Summenformel: C11N13NO4 Molekulargewicht (g/mol): 223.23 Synonym: Benzoic acid, 4-(acetylamino)-3-hydroxy-, ethyl ester,Ethyl 4-acetamido-3-hydroxybenzoate,4-Acetylamino-3-hydroxybenzoic acid ethyl ester IUPAC-Name: ethyl 4-acetamido-3-hydroxybenzoate SMILES: CCOC(=O)c1ccc(NC(=O)C)c(O)c1

IUPAC-Name ethyl 4-acetamido-3-hydroxybenzoate
CAS 1346604-18-9
Molekulargewicht (g/mol) 223.23
SMILES CCOC(=O)c1ccc(NC(=O)C)c(O)c1
Synonym Benzoic acid, 4-(acetylamino)-3-hydroxy-, ethyl ester,Ethyl 4-acetamido-3-hydroxybenzoate,4-Acetylamino-3-hydroxybenzoic acid ethyl ester
Summenformel C11N13NO4
5

N-(4-Carboxyphenyl)-Bernsteinsäure, 99 %, Thermo Scientific Chemicals

CAS: 76475-62-2 Summenformel: C11H11NO5 Molekulargewicht (g/mol): 237.21 MDL-Nummer: MFCD00020530 InChI-Schlüssel: IOKXKKSBNJCKOY-UHFFFAOYSA-N Synonym: 4-3-carboxypropanamido benzoic acid,4-3-carboxypropanoyl amino benzoic acid,n-4-carboxyphenyl succinamic acid,4-3-carboxypropanoylamino benzoic acid,cbkinase1_000202,cbkinase1_012602,cambridge id 5122038,n-4-carboxyphenyl succinamidic acid,4-2-carboxyethylcarboxamido benzoic acid PubChem CID: 765581 IUPAC-Name: 4-(3-carboxypropanamido)benzoic acid SMILES: OC(=O)CCC(=O)NC1=CC=C(C=C1)C(O)=O

InChI-Schlüssel IOKXKKSBNJCKOY-UHFFFAOYSA-N
IUPAC-Name 4-(3-carboxypropanamido)benzoic acid
PubChem CID 765581
CAS 76475-62-2
MDL-Nummer MFCD00020530
Molekulargewicht (g/mol) 237.21
SMILES OC(=O)CCC(=O)NC1=CC=C(C=C1)C(O)=O
Synonym 4-3-carboxypropanamido benzoic acid,4-3-carboxypropanoyl amino benzoic acid,n-4-carboxyphenyl succinamic acid,4-3-carboxypropanoylamino benzoic acid,cbkinase1_000202,cbkinase1_012602,cambridge id 5122038,n-4-carboxyphenyl succinamidic acid,4-2-carboxyethylcarboxamido benzoic acid
Summenformel C11H11NO5
6

4-Acetamido-3-Nitrobenzoesäure, 97+ %, Thermo Scientific™

CAS: 1539-06-6 Summenformel: C9H8N2O5 Molekulargewicht (g/mol): 224.172 MDL-Nummer: MFCD00014703 InChI-Schlüssel: BRQIMWBIZLRLSV-UHFFFAOYSA-N Synonym: 4-acetamido-3-nitrobenzoic acid,4-acetylamino-3-nitrobenzoic acid,benzoic acid, 4-acetylamino-3-nitro,unii-9w2250fzkc,4-acetamino-3-nitrobenzoic acid,4-acetamido-3-nitro-benzoic acid,4-acetylamino-3-nitro-benzoic acid,pubchem16827,acmc-1bqk5 PubChem CID: 73758 SMILES: CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI-Schlüssel BRQIMWBIZLRLSV-UHFFFAOYSA-N
PubChem CID 73758
CAS 1539-06-6
MDL-Nummer MFCD00014703
Molekulargewicht (g/mol) 224.172
SMILES CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym 4-acetamido-3-nitrobenzoic acid,4-acetylamino-3-nitrobenzoic acid,benzoic acid, 4-acetylamino-3-nitro,unii-9w2250fzkc,4-acetamino-3-nitrobenzoic acid,4-acetamido-3-nitro-benzoic acid,4-acetylamino-3-nitro-benzoic acid,pubchem16827,acmc-1bqk5
Summenformel C9H8N2O5
7

Ethyl 4-Acetamido-3-Nitrobenzoat, 97 %, Thermo Scientific™

CAS: 175204-17-8 Summenformel: C11H12N2O5 Molekulargewicht (g/mol): 252.23 MDL-Nummer: MFCD00173758 InChI-Schlüssel: AQEATNDLNBFMRO-UHFFFAOYSA-N Synonym: ethyl 4-acetylamino-3-nitrobenzoate,ethyl 4-acetamido-3-nitro-benzoate,4-acetamido-3-nitrobenzoic acid ethyl ester,acmc-20akyz,ethyl-4-acetamido-3-nitrobenzoate,ethyl4-acetamido-3-nitrobenzoate PubChem CID: 2826598 IUPAC-Name: Ethyl4-acetamido-3-nitrobenzoat SMILES: CCOC(=O)C1=CC=C(NC(C)=O)C(=C1)[N+]([O-])=O

InChI-Schlüssel AQEATNDLNBFMRO-UHFFFAOYSA-N
IUPAC-Name Ethyl4-acetamido-3-nitrobenzoat
PubChem CID 2826598
CAS 175204-17-8
MDL-Nummer MFCD00173758
Molekulargewicht (g/mol) 252.23
SMILES CCOC(=O)C1=CC=C(NC(C)=O)C(=C1)[N+]([O-])=O
Synonym ethyl 4-acetylamino-3-nitrobenzoate,ethyl 4-acetamido-3-nitro-benzoate,4-acetamido-3-nitrobenzoic acid ethyl ester,acmc-20akyz,ethyl-4-acetamido-3-nitrobenzoate,ethyl4-acetamido-3-nitrobenzoate
Summenformel C11H12N2O5
9

2-Acetamido-5-brombenzoesäure, 97 %, Thermo Scientific Chemicals

CAS: 38985-79-4 Summenformel: C9H7BrNO3 Molekulargewicht (g/mol): 257.06 MDL-Nummer: MFCD00040904 InChI-Schlüssel: QVABAFHRLMDDLM-UHFFFAOYSA-M PubChem CID: 520935 SMILES: CC(=O)NC1=CC=C(Br)C=C1C([O-])=O

InChI-Schlüssel QVABAFHRLMDDLM-UHFFFAOYSA-M
PubChem CID 520935
CAS 38985-79-4
MDL-Nummer MFCD00040904
Molekulargewicht (g/mol) 257.06
SMILES CC(=O)NC1=CC=C(Br)C=C1C([O-])=O
Summenformel C9H7BrNO3
10

C 646, Tocris Bioscience™

CAS: 328968-36-1 Summenformel: C24H19N3O6 Molekulargewicht (g/mol): 445.43 MDL-Nummer: MFCD01784780 InChI-Schlüssel: HEKJYZZSCQBJGB-UHFFFAOYSA-N Synonym: 4-4-5-4,5-dimethyl-2-nitrophenyl furan-2-yl methylidene-3-methyl-5-oxopyrazol-1-yl benzoic acid PubChem CID: 2871948 IUPAC-Name: 4-(4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid SMILES: CC1=NN(C(=O)C1=CC1=CC=C(O1)C1=CC(C)=C(C)C=C1[N+]([O-])=O)C1=CC=C(C=C1)C(O)=O

InChI-Schlüssel HEKJYZZSCQBJGB-UHFFFAOYSA-N
IUPAC-Name 4-(4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
PubChem CID 2871948
CAS 328968-36-1
MDL-Nummer MFCD01784780
Molekulargewicht (g/mol) 445.43
SMILES CC1=NN(C(=O)C1=CC1=CC=C(O1)C1=CC(C)=C(C)C=C1[N+]([O-])=O)C1=CC=C(C=C1)C(O)=O
Synonym 4-4-5-4,5-dimethyl-2-nitrophenyl furan-2-yl methylidene-3-methyl-5-oxopyrazol-1-yl benzoic acid
Summenformel C24H19N3O6