NSC 63029

benzyl-[4-[benzyl(2-chloroethyl)azaniumyl]butyl]-(2-chloroethyl)azanium dichloride

CAS: 6952-18-7

Molecular Formula	`C22H32Cl4N2`
Molecular Weight	466.3 g/mol
Topological Polar Surface Area	8.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	13
Exact Mass	466.129
Heavy Atoms	28
Complexity	296.0

Chemical Identifiers

CAS Number	6952-18-7
SMILES	`C1=CC=C(C=C1)C[NH+](CCCC[NH+](CCCl)CC2=CC=CC=C2)CCCl.[Cl-].[Cl-]`
InChIKey	`GEIPYSIOBFSXHG-UHFFFAOYSA-N`

📖 Product Overview

NSC 63029 (CAS: 6952-18-7) is a chemical compound with molecular formula C22H32Cl4N2 and molecular weight 466.3 g/mol. Its IUPAC systematic name is benzyl-[4-[benzyl(2-chloroethyl)azaniumyl]butyl]-(2-chloroethyl)azanium dichloride. Topological Polar Surface Area 8.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 13 Exact Mass 466.129 Heavy Atoms 28 Complexity 296.0 InChI Key: GEIPYSIOBFSXHG-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C[NH+](CCCC[NH+](CCCl)CC2=CC=CC=C2)CCCl.[Cl-].[Cl-].

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