Tris(2-chloroethyl)amine hydrochloride - CAS 817-09-4

Catalog:	BB036696
Product Name:	Tris(2-chloroethyl)amine hydrochloride
CAS:	817-09-4
Synonyms:	2-chloro-N,N-bis(2-chloroethyl)ethanamine;hydrochloride

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Computed Properties

IUPAC Name:	2-chloro-N,N-bis(2-chloroethyl)ethanamine;hydrochloride
Description:	Tris(2-chloroethyl)amine hydrochloride (CAS# 817-09-4) is used for Hodgkin's disease, lymphosarcoma, leukemia and certain allied and miscellaneous disorders.
Molecular Weight:	240.99
Molecular Formula:	C6H13Cl4N
Canonical SMILES:	C(CCl)N(CCCl)CCCl.Cl
InChI:	InChI=1S/C6H12Cl3N.ClH/c7-1-4-10(5-2-8)6-3-9;/h1-6H2;1H
InChI Key:	VEAUDLLZYJVHRI-UHFFFAOYSA-N
Boiling Point:	156.2 ℃ at 760 mmHg
Appearance:	White to off-white solid
LogP:	2.80680

Publication Number	Title	Priority Date
CN-113477052-A	Aminoethylated piperazine, preparation method thereof, carbon dioxide absorbent and application thereof	20210715
US-10980756-B1	Methods of treatment	20200316
WO-2021188564-A1	Methods of treating covid-19 with a niclosamide compound	20200316
US-2021114973-A1	Pharmaceutical formulations	20191018
WO-2021076922-A1	Pharmaceutical formulations	20191018

PMID	Publication Date	Title	Journal
20164158	20100901	Ameliorative effect of DRDE 07 and its analogues on the systemic toxicity of sulphur mustard and nitrogen mustard in rabbit	Human & experimental toxicology
21033401	20100501	[Investigation of anti-hypoxic action of 3-hydroxypyridine derivatives in animals with some types of experimental pathology]	Aviakosmicheskaia i ekologicheskaia meditsina = Aerospace and environmental medicine
19877506	20090901	[Study on the influence factors of human peripheral blood B lymphocyte transformation by Epstein-Barr virus]	Wei sheng yan jiu = Journal of hygiene research
18269793	20080101	Development of a liquid chromatography-multiple reaction monitoring procedure for concurrent verification of exposure to different forms of mustard agents	Journal of analytical toxicology
16596693	20060505	Trichloromethyl ketones as synthetically versatile donors: application in direct catalytic mannich-type reactions and the stereoselective synthesis of azetidines	Angewandte Chemie (International ed. in English)

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GHS Hazard Statement:	H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P201, P202, P260, P264, P270, P280, P281, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	55.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.977260
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.980210
Rotatable Bond Count:	6
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0