CAS 655256-68-1 2-(4-Methyl-1-piperazinyl)benzenemethanamine (HCID 2795568)

基本情報

CAS: 655256-68-1
標準SMILES: CN1CCN(c2ccccc2CN)CC1
InChIKey: GRSJANZWLLXZFG-UHFFFAOYSA-N
分子式: C12H19N3
平均分子量: 205.3 g/mol
単同位体質量: 205.15789762

名称と識別子

優先名称: 2-(4-Methyl-1-piperazinyl)benzenemethanamine
IUPAC: [2-(4-methylpiperazin-1-yl)phenyl]methanamine
現地名: [2-(4-メチル-1-ピペラジニル)フェニル]メタンアミン
英語名: 1-[2-(4-Methylpiperazin-1-yl)phenyl]methanamine
分子式: C12H19N3
分子量: 205.3

名称と別名

2-(4-Methyl-1-piperazinyl)benzenemethanamineRefChem:458012655256-68-11-[2-(4-Methylpiperazin-1-yl)phenyl]methanamine(2-(4-methylpiperazin-1-yl)phenyl)methanamine1-(2-Aminomethyl)phenyl-4-methylpiperazine[2-(4-methylpiperazin-1-yl)phenyl]methanamineMFCD04970994Benzenemethanamine, 2-(4-methyl-1-piperazinyl)-[2-(4-Methylpiperazin-1-yl)phenyl]methylamine[2-(4-Methyl-1-piperazinyl)phenyl]methanamineSCHEMBL110927

名称をさらに表示

[2-(4-メチル-1-ピペラジニル)フェニル]メタンアミンAKOS B021975ART-CHEM-BB B0219751-[2-(4-methylpiperazin-1-yl)p2-(4-METHYLPIPERAZINO)BENZYLAMINE2-(4-METHYLPIPERAZIN-1-YL)BENZYLAMINE2-(4-methylpiperazin-1-yl)benze namine2-(4-Methylpiperazin-1-yl)benzylamine 97%1-[2-(4-Methylpiperazin-1-yl)phenyl]methamine

orb3030995SCHEMBL28041538SCHEMBL29505669DTXSID40383788GRSJANZWLLXZFG-UHFFFAOYSA-NFr13064AKOS000261381PS-3674

データベース識別子

CAS: 655256-68-1
PubChem CID: 2795568
DTXSID: DTXSID40383788
EC Number: 638-890-3

物性

構造計算による物性

XLogP: 0.7
極性表面積: 32.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 187

物理化学的性質

外見: liquid
色: Clear, almost colourless

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.