Compound C13H18Cl2N2O2

2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid

CAS: 1088-79-5

Molecular Formula	`C13H18Cl2N2O2`
Molecular Weight	305.2 g/mol
LogP	-0.5
Topological Polar Surface Area	66.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	304.07452
Heavy Atoms	19
Complexity	273.0

Chemical Identifiers

CAS Number	1088-79-5
SMILES	`C1=CC(=CC(=C1)N(CCCl)CCCl)CC(C(=O)O)N`
InChIKey	`QDGAVODICPCDMU-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H18Cl2N2O2 (CAS: 1088-79-5) is a chemical compound with molecular formula C13H18Cl2N2O2 and molecular weight 305.2 g/mol. Its IUPAC systematic name is 2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid. LogP -0.5 Topological Polar Surface Area 66.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 304.07452 Heavy Atoms 19 Complexity 273.0 InChI Key: QDGAVODICPCDMU-UHFFFAOYSA-N. SMILES: C1=CC(=CC(=C1)N(CCCl)CCCl)CC(C(=O)O)N.

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