Tris(2-chloroethyl)amine hydrochloride

HCID 61220CAS 817-09-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cl.ClCCN(CCCl)CCCl
InChIKey: VEAUDLLZYJVHRI-UHFFFAOYSA-N
분자식: C6H13Cl4N
평균 분자량: 241 g/mol
단동위원소 질량: 238.98021014

개요

Trichlormethine is an organic molecular entity.

이름 및 식별자

우선 이름: Tris(2-chloroethyl)amine hydrochloride
IUPAC: 2-chloro-N,N-bis(2-chloroethyl)ethanamine;hydrochloride

이름 및 동의어

817-09-4Tris(2-chloroethyl)amine hydrochlorideTrichlormethine hydrochlorideTrimustine hydrochlorideNSC-3021100238AP6R9NSC-759837RefChem:1100524212-442-3HN3 hydrochlorideTrichlormethinSinalost

이름 더 보기

TrillekaminTrimitanLekamintris-(2-chloroethyl)-amine hydrochlorideTrichlormethine HCLHn3 hclTrichlormethinium chlorideTris-N-lost

데이터베이스 식별자

CAS: 817-09-4
PubChem CID: 61220
DTXSID: DTXSID6074835
ChEMBL: CHEMBL1397643
ChEBI: CHEBI:82375
UNII: 00238AP6R9
EC Number: 212-442-3

물성

구조 계산 물성

극성 표면적: 3.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 55.7

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationHazard Traits - Carcinogenicity

Hazard Classes and CategoriesAcute Tox. 2 (100%)

독성 정보

Carcinogen Classification · 5건

Trichlormethine (Trimustine hydrochloride)

Group 2B: Possibly carcinogenic to humans

Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)

1990

1989