N-(3-chloropropyl)piperidine hydrochloride

HCID 79624CAS 5472-49-1

基本情報

標準SMILES: Cl.ClCCCN1CCCCC1
InChIKey: OBOBUDMMFXRNDO-UHFFFAOYSA-N
分子式: C8H17Cl2N
平均分子量: 198.13 g/mol
単同位体質量: 197.0738049

名称と識別子

優先名称: N-(3-chloropropyl)piperidine hydrochloride
IUPAC: 1-(3-chloropropyl)piperidine;hydrochloride

名称と別名

N-(3-Chloropropyl)piperidine hydrochlorideRefChem:826497226-812-71-(3-Chloropropyl)piperidine hydrochloride5472-49-1Piperidine, 1-(3-chloropropyl)-, hydrochlorideMFCD000128381-(3-chloropropyl)piperidine;hydrochlorideEINECS 226-812-7NSC 283341-(3-Chloropropyl)piperidine monohydrochloridePiperidinopropyl chloride, hydrochloride

名称をさらに表示

3-Piperidinopropyl chloride hydrochlorideSCHEMBL41048piperidinopropylchloridehydrochlorideNSC-28334piperidinopropyl chloride hydrochloride3-piperidinopropylchloride hydrochloride1-(3-chloropropyl)piperidine HCl1-(3-chloropropyl)piperidine, hydrochloride

データベース識別子

CAS: 5472-49-1
PubChem CID: 79624
DTXSID: DTXSID70203187
ChEMBL: CHEMBL4516898
UNII: RTM9XY4MQQ
EC Number: 226-812-7

物性

構造計算による物性

極性表面積: 3.2 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: 11
形式電荷: 0
複雑度: 79.3

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.