3-Chloro-2-methylpropyl(dimethyl)ammonium chloride

HCID 3083841CAS 4261-67-0

기본 정보

표준 SMILES: CC(CCl)CN(C)C.Cl
InChIKey: SOMIBONUMGNAEP-UHFFFAOYSA-N
분자식: C6H15Cl2N
평균 분자량: 172.09 g/mol
단동위원소 질량: 171.05815484

이름 및 식별자

우선 이름: 3-Chloro-2-methylpropyl(dimethyl)ammonium chloride
IUPAC: 3-chloro-N,N,2-trimethylpropan-1-amine;hydrochloride

이름 및 동의어

EINECS 224-237-63-Chloro-2-methylpropyl(dimethyl)ammonium chlorideRefChem:499809224-237-64261-67-03-Dimethylamino-2-methylpropyl chloride hydrochloride3-chloro-N,N,2-trimethylpropan-1-amine hydrochloride3-chloro-N,N,2-trimethylpropan-1-amine;hydrochlorideMFCD00012514(3-CHLORO-2-METHYLPROPYL)DIMETHYLAMINE HYDROCHLORIDEN-(3-Chloro-2-methylpropyl)-N,N-dimethylamine hydrochloride1-Dimethylamino-2-methyl-3-chloropropane hydrochloride

이름 더 보기

3-Chloro-N,N,2-trimethyl-1-propanamine Hydrochloride; 1-Chloro-2-methyl-3-(dimethylamino)propane Hydrochloride; 1-Chloro-3-(N,N-dimethylamino)-2-methylpropane Hydrochloride; 2,N,N-Trimethylaminopropyl Chloride Hydrochloride;SCHEMBL2218250DTXSID60962610N-(3-Chloro-2-methylpropyl)-N,N-AKOS027320470CS-W017630AS-692853-Chloro-N,N,2-trimethylpropan-1-amine HCl

데이터베이스 식별자

CAS: 4261-67-0
PubChem CID: 3083841
DTXSID: DTXSID60962610
EC Number: 224-237-6

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: 9
형식 전하: 0
복잡도: 54.5

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (69.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.