3-(Dimethylamino)propyl chloride hydrochloride

HCID 94308CAS 5407-04-5

기본 정보

표준 SMILES: CN(C)CCCCl.Cl
InChIKey: LJQNMDZRCXJETK-UHFFFAOYSA-N
분자식: C5H12ClN.ClH
평균 분자량: 158.07 g/mol
단동위원소 질량: 157.04250478

이름 및 식별자

우선 이름: 3-(Dimethylamino)propyl chloride hydrochloride
IUPAC: 3-chloro-N,N-dimethylpropan-1-amine;hydrochloride

이름 및 동의어

5407-04-53-(Dimethylamino)propyl chloride hydrochlorideDimethylaminopropyl chloride hydrochlorideDTXSID50222274031FU3Q6GNSC-5368DTXCID0022271-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1)RefChem:588503226-467-23-Dimethylaminopropylchloride hydrochloride3-chloro-N,N-dimethylpropan-1-amine hydrochloride

이름 더 보기

3-Dimethylaminopropyl chloride hydrochloride1281-00-13-Chloro-N,N-dimethylpropylamine hydrochlorideN,N-Dimethyl-3-chloropropylamine hydrochloride(3-chloropropyl)dimethylamine hydrochlorideMFCD000125211-Chloro-3-(dimethylamino)propane hydrochlorideDimethylaminopropyl chloride, hydrochloride

데이터베이스 식별자

CAS: 5407-04-5
PubChem CID: 94308
DTXSID: DTXSID5022227
ChEMBL: CHEMBL1362069
UNII: 4031FU3Q6G
EC Number: 226-467-2

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: 8
형식 전하: 0
복잡도: 37.1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 89 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.