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

HCID 410085CAS 55755-17-4

基本情報

標準SMILES: Cc1cccc(CCN)c1
InChIKey: GUERDLPJJJMIEU-UHFFFAOYSA-N
分子式: C9H13N
平均分子量: 135.21 g/mol

名称と識別子

優先名称: 2-(3-Methylphenyl)ethan-1-amine
IUPAC: 2-(3-methylphenyl)ethanamine

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.6
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 90.7

安全と法規制

GHS分類

GHS Classification · 4 件

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.