Basic information
- Standard SMILES
NCc1ccc(C(=O)O)cc1- InChIKey
QCTBMLYLENLHLA-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Overview
Aminomethylbenzoic acid is a member of benzoic acids.
Names & identifiers
- Preferred name
- 4-(Aminomethyl)Benzoic Acid
- IUPAC
- 4-(aminomethyl)benzoic acid
Names & synonyms
4-(Aminomethyl)benzoic acid56-91-7Aminomethylbenzoic acidPamba4-Aminomethylbenzoic acidStyptopurGumbixp-Aminomethylbenzoic acidNSC-4162968WG9JKC7LDTXSID20204568para-aminomethylbenzoic acid
Show more names
RefChem:518248DTXCID50127059200-297-94-CarboxybenzylamineBenzoic acid, 4-(aminomethyl)-Benzylamine-4-carboxylic acidalpha-Amino-p-toluic acidMFCD00010203
Database identifiers
- CAS
56-91-7- PubChem CID
- 65526
- DTXSID
DTXSID20204568- ChEMBL
CHEMBL328875- ChEBI
CHEBI:134774- UNII
- 68WG9JKC7L
- EC Number
- 200-297-9
- Nikkaji
- J36.120H
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids
DrugsPharmaceuticals
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Vapor Pressure0.000264 [mmHg]
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See p-Aminobenzoic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (98%)
Chemistry & industry
Pharmacology
ATC Code
B - Blood and blood forming organs
QB - Blood and blood forming organs
MeSH Pharmacological Classification
Agents that prevent fibrinolysis or lysis of a blood clot or thrombus. Several endogenous antiplasmins are known. The drugs are used to control massive hemorrhage and in other coagulation disorders.
Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >50
Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Related reactions
146 records
Linked notes
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