CAS 52913-11-8 Methyl 3-aminophenylacetate (HCID 13054266)

기본 정보

CAS: 52913-11-8
표준 SMILES: COC(=O)Cc1cccc(N)c1
InChIKey: BVKGNQRDVFGNIW-UHFFFAOYSA-N
분자식: C9H11NO2
평균 분자량: 165.19 g/mol
단동위원소 질량: 165.07897859

이름 및 식별자

우선 이름: Methyl 3-aminophenylacetate
IUPAC: methyl 2-(3-aminophenyl)acetate
현지명: 메틸3-아미노페닐아세테이트
영어명: Methyl 3-aminophenylacetate
분자식: C9H11NO2
분자량: 165.19

이름 및 동의어

Methyl 3-aminophenylacetateRefChem:815265807-925-652913-11-8methyl 2-(3-aminophenyl)acetate3-Aminophenylacetic acid methyl esterMethyl (3-aminophenyl)acetateMFCD07366754Methyl3-Aminophenylacetate3-Amino-benzeneacetic acid methyl ester(3-Amino-phenyl)-acetic acid methyl esterBenzeneacetic acid, 3-amino-, methyl ester

이름 더 보기

메틸3-아미노페닐아세테이트3-aminoBenzeneacetic acid methyl estermethyl (3-aminophenyl)acetate(SALTDATA: FREE)3-Aminophenylacetic acid methyl ester, 3-(2-Methoxy-2-oxoethyl)aniline3-Aminophenylacetic acid methyl ester, 3-(2-Methoxy-2-oxoethyl)aniline, Methyl (3-aminophenyl)acetate

methyl m-aminophenylacetatemethyl-3-aminophenylacetatemethyl 3-aminophenyl acetatemethyl 3-aminophenyl-acetatemethyl(3-aminophenyl)acetate3-MethoxycarbonylmethylanilineSCHEMBL907660SCHEMBL11373820

데이터베이스 식별자

CAS: 52913-11-8
PubChem CID: 13054266
DTXSID: DTXSID20516592
EC Number: 807-925-6
Nikkaji: J2.016.842K

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 281.6 · 281.6±15.0 °C(Predicted)
밀도: 1.143 · 1.143±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 4.17 · 4.17±0.10(Predicted)
물리적 상태: 액체
색상: 옅은 노랑

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.