m-(Bis(2-chloroethyl)amino)benzoic acid 2-(diethylamino)ethyl ester hydrochloride

2-[2-[bis(2-chloroethyl)amino]benzoyl]oxyethyl-diethylazanium chloride

CAS: 24813-09-0

Molecular Formula	`C17H27Cl3N2O2`
Molecular Weight	397.8 g/mol
Topological Polar Surface Area	34.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	12
Exact Mass	396.1138
Heavy Atoms	24
Complexity	322.0

Chemical Identifiers

CAS Number	24813-09-0
SMILES	`CC[NH+](CC)CCOC(=O)C1=CC=CC=C1N(CCCl)CCCl.[Cl-]`
InChIKey	`CJDDLBADTXSUEK-UHFFFAOYSA-N`

📖 Product Overview

m-(Bis(2-chloroethyl)amino)benzoic acid 2-(diethylamino)ethyl ester hydrochloride (CAS: 24813-09-0) is a chemical compound with molecular formula C17H27Cl3N2O2 and molecular weight 397.8 g/mol. Its IUPAC systematic name is 2-[2-[bis(2-chloroethyl)amino]benzoyl]oxyethyl-diethylazanium chloride. Topological Polar Surface Area 34.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 12 Exact Mass 396.1138 Heavy Atoms 24 Complexity 322.0 InChI Key: CJDDLBADTXSUEK-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCOC(=O)C1=CC=CC=C1N(CCCl)CCCl.[Cl-].

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