CAS 625437-44-7 N-((3-Methylphenyl)methyl)cyclopropanamine (HCID 16776498)

基本情報

CAS: 625437-44-7
標準SMILES: Cc1cccc(CNC2CC2)c1
InChIKey: LJBFNXZKZYKGFY-UHFFFAOYSA-N
分子式: C11H15N
平均分子量: 161.24 g/mol
単同位体質量: 161.12044948

名称と識別子

優先名称: N-((3-Methylphenyl)methyl)cyclopropanamine
IUPAC: N-[(3-methylphenyl)methyl]cyclopropanamine
英語名: Cyclopropyl-(3-methyl-benzyl)-amine
分子式: C11H15N
分子量: 161.24

名称と別名

625437-44-7N-[(3-methylphenyl)methyl]cyclopropanamineDTXSID90588322N-((3-Methylphenyl)methyl)cyclopropanamineRefChem:359627DTXCID40539086820-149-2Cyclopropyl-(3-methyl-benzyl)-amineN-(3-Methylbenzyl)cyclopropanaminecyclopropyl(3-methylbenzyl)amine hydrochlorideSCHEMBL1036268SCHEMBL1097405

名称をさらに表示

N-Cyclopropyl-3-methylbenzenemethanamineBenzenemethanamine, N-cyclopropyl-3-methyl-

N-(m-tolylmethyl)cyclopropanamineCyclopropyl-(3-methylbenzyl)amineLJBFNXZKZYKGFY-UHFFFAOYSA-NALBB-015147AKOS000132489SB76628DB-319029CS-0246472

データベース識別子

CAS: 625437-44-7
PubChem CID: 16776498
DTXSID: DTXSID90588322
EC Number: 820-149-2

物性

構造計算による物性

XLogP: 2.4
極性表面積: 12 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: 3
重原子数: 12
形式電荷: 0
複雑度: 140

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.