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beta-Amino-4-[Bis(2-Chloroethyl)Amino]Benzenepropanoic Acid
[CAS# 1952-98-3]

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CAS#: 1952-98-3
Product: beta-Amino-4-[Bis(2-Chloroethyl)Amino]Benzenepropanoic Acid
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Identification
Name beta-Amino-4-[Bis(2-Chloroethyl)Amino]Benzenepropanoic Acid
Synonyms 3-Amino-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propionic Acid; 3-(P-(Bis(2-Chloroethyl)Amino)Phenyl)-Beta-Alanine; 4-14-00-01686 (Beilstein Handbook Reference)
Molecular Structure CAS#: 1952-98-3, beta-Amino-4-[Bis(2-Chloroethyl)Amino]Benzenepropanoic Acid
Molecular Formula C13H18Cl2N2O2
Molecular Weight 305.20
CAS Registry Number 1952-98-3
SMILES C1=CC(=CC=C1N(CCCl)CCCl)C(CC(O)=O)N
InChI 1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)12(16)9-13(18)19/h1-4,12H,5-9,16H2,(H,18,19)
InChIKey LUZAMFFYXAEQAY-UHFFFAOYSA-N
Properties
Density 1.318g/cm3 (Cal.)
Boiling point 479.159°C at 760 mmHg (Cal.)
Flash point 243.587°C (Cal.)
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