Basic information
- CAS
162252-46-2- Standard SMILES
CC(=O)Nc1c(N)cc(C(=O)O)cc1O- InChIKey
CALDTVBHJMBRTM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- 4-(Acetylamino)-5-amino-3-hydroxybenzoic acid
- IUPAC
- 4-acetamido-3-amino-5-hydroxybenzoic acid
- English name
- Benzoic acid, 4-(acetylamino)-3-amino-5-hydroxy- (9CI)
- Molecular formula
- C9H10N2O4
- Molecular weight
- 210.19
Names & synonyms
4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID3-amino-4-acetamido-5-hydroxybenzoic acidRefChem:5149344-acetamido-3-amino-5-hydroxybenzoic acid162252-46-24-acetamido-3-amino-5-hydroxybenzoicacidST2BANA1064-(Acetylamino)-3-amino-5-hydroxybenzoic acidBenzoic acid, 4-(acetylamino)-3-amino-5-hydroxy- (9CI)CHEMBL109005SCHEMBL8375025
Show more names
Benzoic acid, 4-(acetylamino)-3-amino-5-hydroxy-
DTXSID70332224DB08571SB77195PD0043184-acetamido-3-amino-5-hydroxy-benzoic acidDB-340004NS000690943-Amino-4-(acetylamino)-5-hydroxybenzoic acid
Database identifiers
- CAS
162252-46-2- PubChem CID
- 446366
- DTXSID
DTXSID70332224- ChEMBL
CHEMBL109005- Nikkaji
- J677.603E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 533.2 · 533.2±50.0 °C(Predicted)
- Density
- 1.548 · 1.548±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.31 · 4.31±0.10(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
ARENA CHEMICAL[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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