4-(Aminomethyl)Benzoic Acid

HCID 65526CAS 56-91-7

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기본 정보

표준 SMILES: NCc1ccc(C(=O)O)cc1
InChIKey: QCTBMLYLENLHLA-UHFFFAOYSA-N
분자식: C8H9NO2
평균 분자량: 151.16 g/mol
단동위원소 질량: 151.06332853

개요

Aminomethylbenzoic acid is a member of benzoic acids.

이름 및 식별자

우선 이름: 4-(Aminomethyl)Benzoic Acid
IUPAC: 4-(aminomethyl)benzoic acid

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.6
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids

DrugsPharmaceuticals

Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Vapor Pressure0.000264 [mmHg]

Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

화학 및 산업

약리 정보

ATC Code · 2건

B - Blood and blood forming organs

QB - Blood and blood forming organs

MeSH Pharmacological Classification · 2건

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).