1,9-Dichloro-3,7-diazanonane Dihydrochloride - CAS 43203-35-6

Catalog:	BB068055
Product Name:	1,9-Dichloro-3,7-diazanonane Dihydrochloride
CAS:	43203-35-6
Synonyms:	NSC 70806; N,N'-Bis(2-chloroethyl)-1,3-propanediamine Dihydrochloride; N1,N3-Bis(2-chloroethyl)-1,3-propanediamine Hydrochloride

Technical Data

IUPAC Name:	N,N'-bis(2-chloroethyl)propane-1,3-diaminedihydrochloride
Description:	1,9-Dichloro-3,7-diazanonane Dihydrochloride is an intermediate in the synthesis of N,N'-Divinyl-1,3-propanediamine (D494455), an impurity of Cyclophosphamide (C988580).
Molecular Weight:	272.04
Molecular Formula:	C7H18Cl4N2
Canonical SMILES:	C(CNCCCl)CNCCCl.Cl.Cl
InChI:	InChI=1S/C7H16Cl2N2.2ClH/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-7H22*1H
InChI Key:	JMUCTUYGJRQKJI-UHFFFAOYSA-N
Melting Point:	>199°C (dec.)
Solubility:	DMSO (Slightly), Water (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Hygroscopic
References:	Lee, W.W., et al. J. Med. Chem., 6, 567 (1963).

Complexity:	63.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.019459
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	270.022409
Rotatable Bond Count:	8
Topological Polar Surface Area:	24.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0