2-(3-Methylphenyl)ethan-1-amine

HCID 410085CAS 55755-17-4

기본 정보

표준 SMILES: Cc1cccc(CCN)c1
InChIKey: GUERDLPJJJMIEU-UHFFFAOYSA-N
분자식: C9H13N
평균 분자량: 135.21 g/mol

이름 및 식별자

우선 이름: 2-(3-Methylphenyl)ethan-1-amine
IUPAC: 2-(3-methylphenyl)ethanamine

이름 및 동의어

3-Methylphenethylamine2-(3-methylphenyl)ethan-1-amineRefChem:455797663-484-855755-17-42-(m-Tolyl)ethanamine2-m-tolyl-ethylamine2-(3-methylphenyl)ethanamine2-m-tolylethanamineBenzeneethanamine, 3-methyl-3-Methylbenzeneethanamine3-Methyl-benzeneethanamine

이름 더 보기

MFCD013108282-(3-methylphenyl)ethylamine(2-(3-Methylphenyl)ethyl)amine46YT56V48JUNII-46YT56V48JCHEMBL4485762-(m-tolyl)ethan-1-amine2-(m-tolyl)ethylamine

데이터베이스 식별자

CAS: 55755-17-4
PubChem CID: 410085
ChEMBL: CHEMBL448576
UNII: 46YT56V48J
EC Number: 663-484-8
Nikkaji: J2.103.588B

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 90.7

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.