CAS 459-28-9 (2-(4-Fluorophenyl)ethyl)(methyl)amine (HCID 120234)

基本情報

CAS: 459-28-9
標準SMILES: CNCCc1ccc(F)cc1
InChIKey: NCBPDSPIVAMJIT-UHFFFAOYSA-N
分子式: C9H12FN
平均分子量: 153.2 g/mol
単同位体質量: 153.0953776

名称と識別子

優先名称: (2-(4-Fluorophenyl)ethyl)(methyl)amine
IUPAC: 2-(4-fluorophenyl)-N-methylethanamine
現地名: 4-フルオロ-N-メチルベンゼンエタンアミン
英語名: 10018 2-(4-FLUORO PHENYL)-N-METHYL ETHANAMINE
分子式: C9H12FN
分子量: 153.2

名称と別名

[2-(4-fluorophenyl)ethyl](methyl)amine(2-(4-Fluorophenyl)ethyl)(methyl)amineRefChem:394969819-778-52-(4-fluorophenyl)-N-methylethanamine459-28-9[2-(4-fluoro-phenyl)-ethyl]-methyl-amineP-FLUORO-N-METHYLPHENETHYLAMINEN-Methyl-p-fluorophenethylamineH3YJB6ELXEPhenethylamine, p-fluoro-N-methyl-MFCD06738717

名称をさらに表示

4-フルオロ-N-メチルベンゼンエタンアミン[2-(4-フルオロフェニル)エチル](メチル)アミン4-Fluoro-N-methylbenzeneethanamineBenzeneethanamine,4-fluoro-N-methyl-

[2-(4-fluorophenyl)ethyl]methylamine10018 2-(4-FLUORO PHENYL)-N-METHYL ETHANAMINECHEMBL476324N-[2-(4-Fluorophenyl)ethyl]-N-methylamineBENZENEETHANAMINE, 4-FLUORO-N-METHYL-UNII-H3YJB6ELXEN-methyl-4-fluorophenethylamine2-(4-fluorophenyl)-N-methyl-ethanamine

データベース識別子

CAS: 459-28-9
PubChem CID: 120234
DTXSID: DTXSID80276226
ChEMBL: CHEMBL476324
UNII: H3YJB6ELXE
EC Number: 819-778-5
Nikkaji: J71.167E

物性

構造計算による物性

XLogP: 1.9
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 97.7

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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.