Benzoic acid, 3-(acetylamino)-5-amino-
Basic information
- CAS
15089-84-6- Standard SMILES
CC(=O)Nc1cc(N)cc(C(=O)O)c1- InChIKey
SETVYNZSWPLKAO-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- Benzoic acid, 3-(acetylamino)-5-amino-
- IUPAC
- 3-acetamido-5-aminobenzoic acid
- English name
- 3-acetamido-5-aminobenzoic acid
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
3-Amino-5-acetamidobenzoic acidBenzoic acid, 3-(acetylamino)-5-amino-3-Acetylamino-5-aminobenzoic acidBenzoic acid, 3-acetamido-5-amino-EINECS 239-143-0NSC 15500DTXSID5065855RefChem:565762DTXCID20348873-Acetamido-5-aminobenzoic acid15089-84-63-amino-5-acetylaminobenzoic acid
Show more names
3-(Acetylamino)-5-aminobenzoic acid
NSC-155003-(Acetylamino)-5-aminobenzoic Acid;NSC15500B4RDY5R28NSCHEMBL51089823-acetylamino-5-amino-benzoic acidAKOS006275170Benzoic acid,3-(acetylamino)-5-amino-
Database identifiers
- CAS
15089-84-6- PubChem CID
- 84786
- DTXSID
DTXSID5065855- UNII
- B4RDY5R28N
- EC Number
- 239-143-0
- Nikkaji
- J241.389B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 232 · 232-235℃
- Density
- 1.414 · 1.414±0.06 g/cm3 (20 ºC 760 Torr)
- solubility
- DMSO
- form
- Solid
- color
- Light brown
- FDA UNII
- 4 RDY5R28N · B4RDY5R28N
- EPA Substance Registry System
- 3 · Benzoic acid, 3-(acetylamino)-5-amino- (15089-84-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3-(acetylamino)-5-amino-: INACTIVE
Applications
Uses3-Amino-5-acetamidobenzoic Acid is an intermediate in the synthesis of 4-Deiodo-amidotrizoic Acid (D230440), obtained from 3,5-Dinitrobenzenemethanol. It can also be used in biological study for quality environmental risk assessment of photolytic transformation products of iodinated X-ray contrast agent diatrizoic acid.
Upstream & downstream products
Upstream raw materials
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Compound notes
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