4-[2-(4-Methylpiperazin-1-yl)ethyl]aniline

HCID 24255480

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 262368-48-9
標準SMILES: CN1CCN(CCc2ccc(N)cc2)CC1
InChIKey: BKUWHZDNFSRARB-UHFFFAOYSA-N
分子式: C13H21N3
平均分子量: 219.33 g/mol
単同位体質量: 219.17354767

名称と識別子

優先名称: 4-[2-(4-Methylpiperazin-1-yl)ethyl]aniline
IUPAC: 4-[2-(4-methylpiperazin-1-yl)ethyl]aniline
英語名: 4-[2-(4-methylpiperazin-1-yl)ethyl]aniline
分子式: C13H21N3
分子量: 219.33

名称と別名

4-[2-(4-methylpiperazin-1-yl)ethyl]aniline4-(2-(4-Methylpiperazin-1-yl)ethyl)anilineDTXSID20640523RefChem:517257DTXCID30591274899-564-6262368-48-94-[2-(4-Methyl-piperazin-1-yl)-ethyl]-phenylamineMFCD098847594-[2-(4-Methyl-1-piperazinyl)ethyl]anilineSCHEMBL1509554BKUWHZDNFSRARB-UHFFFAOYSA-N

名称をさらに表示

OTAVA-BB 1036666[4-[2-(4-METHYLPIPERAZIN-1-YL)ETHYL]PHENYL]AMINEBenzenamine, 4-[2-(4-methyl-1-piperazinyl)ethyl]-

MKA36848AKOS000256928SY1740684-[2-(N-methylpiperazino)-ethyl]-anilineDB-067584CS-0216580EN300-517384-[2-(4-Methyl-piperazin-1-yl)ethyl]aniline

データベース識別子

CAS: 262368-48-9
PubChem CID: 24255480
DTXSID: DTXSID20640523
EC Number: 899-564-6

物性

構造計算による物性

XLogP: 1.4
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: 3
重原子数: 16
形式電荷: 0
複雑度: 191

物理化学的性質

貯蔵温度: Store at Room Tem.
外見: solid
InChI: 1S/C13H21N3/c1-15-8-10-16(11-9-15)7-6-12-2-4-13(14)5-3-12/h2-5H,6-11,14H2,1H3
InChIKey: BKUWHZDNFSRARB-UHFFFAOYSA-N
SMILES: NC(C=C1)=CC=C1CCN2CCN(C)CC2

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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.