beta-p-N-Di(beta-chloroethyl)aminophenylbutyric acid hydrochloride

3-[4-[bis(2-chloroethyl)amino]phenyl]-2-methylpropanoic acid;hydrochloride

CAS: 3276-05-9

Molecular Formula	`C14H20Cl3NO2`
Molecular Weight	340.7 g/mol
Topological Polar Surface Area	40.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	8
Exact Mass	339.05597
Heavy Atoms	20
Complexity	262.0

Chemical Identifiers

CAS Number	3276-05-9
SMILES	`CC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)O.Cl`
InChIKey	`RULFWDFJJQKVMQ-UHFFFAOYSA-N`

📖 Product Overview

beta-p-N-Di(beta-chloroethyl)aminophenylbutyric acid hydrochloride (CAS: 3276-05-9) is a chemical compound with molecular formula C14H20Cl3NO2 and molecular weight 340.7 g/mol. Its IUPAC systematic name is 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-methylpropanoic acid;hydrochloride. Topological Polar Surface Area 40.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 8 Exact Mass 339.05597 Heavy Atoms 20 Complexity 262.0 InChI Key: RULFWDFJJQKVMQ-UHFFFAOYSA-N. SMILES: CC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)O.Cl.

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