2-Chloroethyldiisopropylammonium chloride

HCID 77942CAS 4261-68-1

기본 정보

표준 SMILES: CC(C)N(CCCl)C(C)C.Cl
InChIKey: IUSXYVRFJVAVOB-UHFFFAOYSA-N
분자식: C8H19Cl2N
평균 분자량: 200.15 g/mol
단동위원소 질량: 199.08945497

이름 및 식별자

우선 이름: 2-Chloroethyldiisopropylammonium chloride
IUPAC: N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride

이름 및 동의어

2-Chloroethyldiisopropylammonium chloride2-(diisopropylamino)-ethylchloride hydrochlorideRefChem:4704534261-68-12-Diisopropylaminoethyl Chloride Hydrochloride2-(Diisopropylamino)ethyl chloride hydrochlorideDTXSID60487012-Chloroethyldiisopropylamine hydrochloride2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride6RMR38FCEQN-(2-Chloroethyl)diisopropylamine hydrochlorideN-(2-chloroethyl)-N-(propan-2-yl)propan-2-amine hydrochloride

이름 더 보기

NSC-49189N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1)(2-chloroethyl)bis(propan-2-yl)amine hydrochlorideNCGC00166002-01EINECS 224-238-1UNII-6RMR38FCEQNSC 49189

데이터베이스 식별자

CAS: 4261-68-1
PubChem CID: 77942
DTXSID: DTXSID6048701
ChEMBL: CHEMBL3188338
UNII: 6RMR38FCEQ
EC Number: 224-238-1

물성

구조 계산 물성

극성 표면적: 3.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 73.3

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.