p-Bis(2-chloroethyl)aminomethyl-phenylalanine dihydrochloride

[4-(2-azaniumyl-2-carboxyethyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride

CAS: 2185-97-9

Molecular Formula	`C14H22Cl4N2O2`
Molecular Weight	392.1 g/mol
Topological Polar Surface Area	69.4 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	392.0406
Heavy Atoms	22
Complexity	278.0

Chemical Identifiers

CAS Number	2185-97-9
SMILES	`C1=CC(=CC=C1CC(C(=O)O)[NH3+])C[NH+](CCCl)CCCl.[Cl-].[Cl-]`
InChIKey	`YJUGYTKTAOZZRD-UHFFFAOYSA-N`

📖 Product Overview

p-Bis(2-chloroethyl)aminomethyl-phenylalanine dihydrochloride (CAS: 2185-97-9) is a chemical compound with molecular formula C14H22Cl4N2O2 and molecular weight 392.1 g/mol. Its IUPAC systematic name is [4-(2-azaniumyl-2-carboxyethyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride. Topological Polar Surface Area 69.4 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 392.0406 Heavy Atoms 22 Complexity 278.0 InChI Key: YJUGYTKTAOZZRD-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1CC(C(=O)O)[NH3+])C[NH+](CCCl)CCCl.[Cl-].[Cl-].

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