1-(3-クロロプロピル)-4-メチルピペラジン

1-(3-クロロプロピル)-4-メチルピペラジン · 1-(3-Chloropropyl)-4-methylpiperazine · n-methylpiperazinopropyl chloride · 1-(3-chloropropyl)-4-methyl-piperazin · 1-Methyl-4-(3-chloropropyl)piperazine · 3-(4-Methylpiperazino)propyl chloride · N-(3-Chloropropyl)-N'-methylpiperazine · 1-(3-Chloroprop-1-yl)-4-methylpiperazine

https://huagongshe.com/ja/chemical/66906

識別子と物理属性

CAS No.	104-16-5
分子式	C8H17ClN2
平均分子量	176.69 g/mol
単同位体質量	176.10802622 g/mol
SMILES	CN1CCN(CCCCl)CC1
InChIKey	AUERUDPETOKUPT-UHFFFAOYSA-N
PubChem CID	66906
EC No.	203-181-6
DTXSID	DTXSID90146204
現地名	1-(3-クロロプロピル)-4-メチルピペラジン

化学・物理的性質

XLogP	1
極性表面積	6.5
水素結合供与体数	0
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	100
融点	128-130 °C(Solv: acetone (67-64-1))
沸点	243 ºC
密度	1.015
屈折率	1.476
引火点	101 ºC
貯蔵条件	Sealed in dry,Store in freezer, under -20°C
pKa（酸解離定数）	7+-.0.10(Predicted)
InChI	InChI=1S/C8H17ClN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3
InChIKey	AUERUDPETOKUPT-UHFFFAOYSA-N
SMILES	N1(CCCCl)CCN(C)CC1

安全性と法規制

GHS 分類	DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23577
Hazard Classes and Categories	Acute Tox. 3 (50%)
税関コード	2933599590

用途

使用

1-Methyl-4-(3-chloropropyl)piperazine can be used in the preparation of many pharmaceutically active compounds such as antiulcer agents, antitumor agents, antibiotics and anxiolytics.