2-(4-メチル-1-ピペラジニル)アニリン

2-(4-Methylpiperazin-1-yl)aniline

HCID 286547CAS 180605-36-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CN1CCN(c2ccccc2N)CC1
InChIKey: INWHDRNGZMHXEZ-UHFFFAOYSA-N
分子式: C11H17N3
平均分子量: 191.27 g/mol
単同位体質量: 191.14224754

概要

2-(4-methyl-1-piperazinyl)aniline is a member of piperazines.

名称と識別子

優先名称: 2-(4-Methylpiperazin-1-yl)aniline
IUPAC: 2-(4-methylpiperazin-1-yl)aniline
現地名: 2-(4-メチル-1-ピペラジニル)アニリン
英語名: 2-(4-Methylpiperazin-1-yl)aniline
分子式: C11H17N3
分子量: 191.27

名称と別名

2-(4-methylpiperazin-1-yl)aniline180605-36-1DTXSID60301626RefChem:252708DTXCID60252760641-312-22-(4-Methyl-1-piperazinyl)aniline2-(4-methylpiperazino)anilineBenzenamine, 2-(4-methyl-1-piperazinyl)-2-(4-Methyl-piperazin-1-yl)-phenylamineMFCD04035359CHEMBL1879790

名称をさらに表示

2-(4-メチル-1-ピペラジニル)アニリン1-(2-アミノフェニル)-4-メチルピペラジン2-(4-メチルピペラジン-1-イル)アニリンAKOS B021944AKOS BB-7895ASISCHEM Z51464CHEMBRDG-BB 4010388ART-CHEM-BB B021944TIMTEC-BB SBB0071332-(4-Methylpiperazine)aniline2-(4-Methyl-1-Piperazinyl)Anil2-(4-methylpiperazin-1-yl)anil

2-(4-methylpiperazinyl)phenylamineNSC1450031-(2-Aminophenyl)-4-methylpiperazineMLS000528973orb3031224SCHEMBL1926749SCHEMBL29036649SCHEMBL29586390

データベース識別子

CAS: 180605-36-1
PubChem CID: 286547
DTXSID: DTXSID60301626
ChEMBL: CHEMBL1879790
ChEBI: CHEBI:113157
EC Number: 641-312-2

物性

構造計算による物性

XLogP: 1.2
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: 1
重原子数: 14
形式電荷: 0
複雑度: 175

物理化学的性質

融点: 101 °C · 101 °C
沸点: 321.2 · 321.2±37.0 °C(Predicted)
比重(密度): 1.092 · 1.092±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: powder to crystal
酸解離定数(Pka): 7.91 · 7.91±0.40(Predicted)
色: White to Light yellow
CAS データベース: 180605 · 180605-36-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, 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.