CAS 100511-83-9 Methyl 3-[3-(aminomethyl)phenyl]propanoate (HCID 14218721)

기본 정보

CAS: 100511-83-9
표준 SMILES: COC(=O)CCc1cccc(CN)c1
InChIKey: WSFASYFZFSTLPQ-UHFFFAOYSA-N
분자식: C11H15NO2
평균 분자량: 193.24 g/mol

이름 및 식별자

우선 이름: Methyl 3-[3-(aminomethyl)phenyl]propanoate
IUPAC: methyl 3-[3-(aminomethyl)phenyl]propanoate
현지명: 3-(3-아미노메틸-페닐)-프로피온산메틸에스테르
영어명: 3-(3-AMINOMETHYL-PHENYL)-PROPIONIC ACID METHYL ESTER
분자식: C11H15NO2
분자량: 193.24

이름 및 동의어

100511-83-9Methyl 3-[3-(aminomethyl)phenyl]propanoateMethyl 3-(3-(aminomethyl)phenyl)propanoateRefChem:814815640-440-63-(3-aminomethyl-phenyl)-propionic acid methyl esterMFCD08064274Methyl 3-[3-(aminomethyl)phenyl]propionatemethyl 3-(3-aminomethylphenyl)propanoate10051-83-9SCHEMBL5043214AKOS022179686

이름 더 보기

3-(3-아미노메틸-페닐)-프로피온산메틸에스테르Benzenepropanoic acid, 3-(aminomethyl)-, methyl ester

AS-69468Methyl3-(3-(aminomethyl)phenyl)propanoateCS-0302087EN300-1069819

데이터베이스 식별자

CAS: 100511-83-9
PubChem CID: 14218721
EC Number: 640-440-6

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: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 182

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.