Tris(2-chloroethyl)amine hydrochloride

HCID 61220CAS 817-09-4

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.ClCCN(CCCl)CCCl
InChIKey: VEAUDLLZYJVHRI-UHFFFAOYSA-N
分子式: C6H13Cl4N
平均分子量: 241 g/mol
単同位体質量: 238.98021014

概要

Trichlormethine is an organic molecular entity.

名称と識別子

優先名称: Tris(2-chloroethyl)amine hydrochloride
IUPAC: 2-chloro-N,N-bis(2-chloroethyl)ethanamine;hydrochloride

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 3.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 6
重原子数: 11
形式電荷: 0
複雑度: 55.7

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory InformationHazard Traits - Carcinogenicity

Hazard Classes and CategoriesAcute Tox. 2 (100%)

毒性情報

Carcinogen Classification · 5 件

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