3-[4-[Bis(2-Chloroethyl)Amino]-3-Methoxyphenyl]-2-Aminopropionic Acid
[CAS# 66902-62-3]

Identification

• Name: 3-[4-[Bis(2-Chloroethyl)Amino]-3-Methoxyphenyl]-2-Aminopropionic Acid
• Synonyms: 2-Amino-3-[4-[Bis(2-Chloroethyl)Amino]-3-Methoxy-Phenyl]Propanoic Acid; 2-Amino-3-[4-[Bis(2-Chloroethyl)Amino]-3-Methoxy-Phenyl]Propionic Acid; 3-(4-(Bis(2-Chloroethyl)Amino)-3-Methoxyphenyl)Alanine
• Molecular Formula: C₁₄H₂₀Cl₂N₂O₃
• Molecular Weight: 335.23
• CAS Registry Number: 66902-62-3
• SMILES: C1=CC(=CC(=C1N(CCCl)CCCl)OC)CC(C(O)=O)N
• InChI: 1S/C14H20Cl2N2O3/c1-21-13-9-10(8-11(17)14(19)20)2-3-12(13)18(6-4-15)7-5-16/h2-3,9,11H,4-8,17H2,1H3,(H,19,20)
• InChIKey: PDUXIBFAWGEDRX-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 476.174°C at 760 mmHg (Cal.)
• Flash point: 241.782°C (Cal.)