4-(Aminomethyl)Benzoic Acid

HCID 65526CAS 56-91-7

部分構造検索類似構造を探す

基本情報

標準SMILES: NCc1ccc(C(=O)O)cc1
InChIKey: QCTBMLYLENLHLA-UHFFFAOYSA-N
分子式: C8H9NO2
平均分子量: 151.16 g/mol
単同位体質量: 151.06332853

概要

Aminomethylbenzoic acid is a member of benzoic acids.

名称と識別子

優先名称: 4-(Aminomethyl)Benzoic Acid
IUPAC: 4-(aminomethyl)benzoic acid

名称と別名

4-(Aminomethyl)benzoic acid56-91-7Aminomethylbenzoic acidPamba4-Aminomethylbenzoic acidStyptopurGumbixp-Aminomethylbenzoic acidNSC-4162968WG9JKC7LDTXSID20204568para-aminomethylbenzoic acid

名称をさらに表示

RefChem:518248DTXCID50127059200-297-94-CarboxybenzylamineBenzoic acid, 4-(aminomethyl)-Benzylamine-4-carboxylic acidalpha-Amino-p-toluic acidMFCD00010203

データベース識別子

CAS: 56-91-7
PubChem CID: 65526
DTXSID: DTXSID20204568
ChEMBL: CHEMBL328875
ChEBI: CHEBI:134774
UNII: 68WG9JKC7L
EC Number: 200-297-9
Nikkaji: J36.120H

物性

構造計算による物性

XLogP: -1.6
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 139

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids

DrugsPharmaceuticals

Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Vapor Pressure0.000264 [mmHg]

Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See p-Aminobenzoic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

化学と産業

薬理情報

ATC Code · 2 件

B - Blood and blood forming organs

QB - Blood and blood forming organs

MeSH Pharmacological Classification · 2 件

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).