N-(3-chloropropyl)piperidine hydrochloride

HCID 79624CAS 5472-49-1

기본 정보

표준 SMILES: Cl.ClCCCN1CCCCC1
InChIKey: OBOBUDMMFXRNDO-UHFFFAOYSA-N
분자식: C8H17Cl2N
평균 분자량: 198.13 g/mol
단동위원소 질량: 197.0738049

이름 및 식별자

우선 이름: N-(3-chloropropyl)piperidine hydrochloride
IUPAC: 1-(3-chloropropyl)piperidine;hydrochloride

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 3.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 79.3

안전 및 규제

GHS 분류

GHS Classification · 4건

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.