Benzoic acid, 4-amino-3-hydroxy-, methyl ester

HCID 7020619

노트 반응

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 63435-16-5
표준 SMILES: COC(=O)c1ccc(N)c(O)c1
InChIKey: OCZXDVNSNDITBS-UHFFFAOYSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

이름 및 식별자

우선 이름: Benzoic acid, 4-amino-3-hydroxy-, methyl ester
IUPAC: methyl 4-amino-3-hydroxybenzoate

이름 및 동의어

63435-16-5Benzoic acid, 4-amino-3-hydroxy-, methyl esterRefChem:118449919-647-3Methyl 4-amino-3-hydroxybenzoateMFCD00017093Methyl 4-amino-3-hydroxybenzenecarboxylate4-amino-3-hydroxybenzoic acid methyl estermethyl 3-hydroxy-4-aminobenzoatemethyl 4-amino-3-hydroxy-benzoate4-Amino-3-hydroxy-benzoic acid methyl esterMETHYL-4-AMINO-3-HYDROXYBENZOATE

이름 더 보기

Methyl4-amino-3-hydroxybenzoateFT8RE296RTSCHEMBL140666SCHEMBL18980282-amino-5-methoxycarbonylphenol5-Methoxycarbonyl-2-aminophenolMethyl3-hydroxy-4-aminobenzoateSCHEMBL29433281

데이터베이스 식별자

CAS: 63435-16-5
PubChem CID: 7020619
DTXSID: DTXSID801246249
UNII: FT8RE296RT
EC Number: 801-973-1、919-647-3
Nikkaji: J267.395I

물성

구조 계산 물성보충 중

XLogP: 1.8
극성 표면적: 72.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physical DescriptionSolid; [Acros Organics MSDS]

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]