aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanonehydrate

aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanone;hydrate

CAS: 64047-52-5

Molecular Formula	`C14H20Cl2N2O2`
Molecular Weight	319.2 g/mol
Topological Polar Surface Area	24.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	318.09018
Heavy Atoms	20
Complexity	304.0

Chemical Identifiers

CAS Number	64047-52-5
SMILES	`CC1=C(C=C(C=C1)C(=O)N2CC2)N(CCCl)CCCl.O`
InChIKey	`RRGCKMHKMCUKAH-UHFFFAOYSA-N`

📖 Product Overview

aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanonehydrate (CAS: 64047-52-5) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 319.2 g/mol. Its IUPAC systematic name is aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanone;hydrate. Topological Polar Surface Area 24.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 318.09018 Heavy Atoms 20 Complexity 304.0 InChI Key: RRGCKMHKMCUKAH-UHFFFAOYSA-N. SMILES: CC1=C(C=C(C=C1)C(=O)N2CC2)N(CCCl)CCCl.O.

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