Methyl 2-(3-amino-4-hydroxyphenyl)acetate

HCID 1475136CAS 78587-72-1

기본 정보

표준 SMILES: COC(=O)Cc1ccc(O)c(N)c1
InChIKey: CEPDWEWFQRUWPP-UHFFFAOYSA-N
분자식: C9H11NO3
평균 분자량: 181.19 g/mol
단동위원소 질량: 181.07389321

이름 및 식별자

우선 이름: Methyl 2-(3-amino-4-hydroxyphenyl)acetate
IUPAC: methyl 2-(3-amino-4-hydroxyphenyl)acetate
영어명: methyl 2-(3-amino-4-hydroxyphenyl)acetate
분자식: C9H11NO3
분자량: 181.19

이름 및 동의어

methyl 2-(3-amino-4-hydroxyphenyl)acetate78587-72-1DTXSID60363067DTXCID00314114RefChem:353824881-778-6methyl 3-amino-4-hydroxyphenylacetateMFCD04125316methyl (3-amino-4-hydroxyphenyl)acetate(3-Amino-4-hydroxyphenyl)acetic acid methyl esterMLS000736201SCHEMBL287469

이름 더 보기

METHYLAMINOHYDROXYPHENYLACETATEMethyl 2-(3-amino-4-hydroxyphenyl)Methyl3-amino-4-hydroxyphenylacetate95%Methyl 3-amino-4-hydroxyphenylacetate 95%Benzeneacetic acid, 3-amino-4-hydroxy-, methyl ester3-Amino-4-hydroxyphenylacetic acid methyl ester, 2-Amino-4-(2-methoxy-2-oxoethyl)phenol

CHEMBL1372098CEPDWEWFQRUWPP-UHFFFAOYSA-NHMS2660I07DDA58772SBB089793methyl-3-amino-4-hydroxyphenylacetateAKOS005070314CS-W000711

데이터베이스 식별자

CAS: 78587-72-1
PubChem CID: 1475136
DTXSID: DTXSID60363067
ChEMBL: CHEMBL1372098
EC Number: 881-778-6

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 72.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 102 · 102-105°
저장 조건: 2 · 2-8°C

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.