Methyl 4-(aminomethyl)benzoate

HCID 571728CAS 18469-52-8

기본 정보

표준 SMILES: COC(=O)c1ccc(CN)cc1
InChIKey: AQBJGAUQEJFPKZ-UHFFFAOYSA-N
분자식: C9H11NO2
평균 분자량: 165.19 g/mol

이름 및 식별자

우선 이름: Methyl 4-(aminomethyl)benzoate
IUPAC: methyl 4-(aminomethyl)benzoate

이름 및 동의어

Methyl 4-(aminomethyl)benzoateRefChem:815979870-396-518469-52-8MFCD00468795Benzoic acid, 4-(aminomethyl)-, methyl ester4-(aminomethyl)benzoic acid methyl esterMethyl 4-aminomethylbenzoatemethyl4-(aminomethyl)benzoateCHEMBL148986(4-methoxycarbonylphenyl)methylazanium78B

이름 더 보기

8G24-Aminomethylbenzoic acid methyl esterEnamine_003267Methyl 4-(aminomethyl)methyl-4-aminomethylbenzoateOprea1_645037SCHEMBL184868methyl 4 (aminomethyl)benzoate

데이터베이스 식별자

CAS: 18469-52-8
PubChem CID: 571728
ChEMBL: CHEMBL148986
EC Number: 870-396-5
Nikkaji: J432.073E

물성

구조 계산 물성

XLogP: 1.2
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: 151

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.