(2S)-2-Amino-3-[5-[Bis(2-Chloroethyl)Amino]-2-Methylphenyl]Propanoic Acid
[CAS# 74980-06-6]

Identification

• Name: (2S)-2-Amino-3-[5-[Bis(2-Chloroethyl)Amino]-2-Methylphenyl]Propanoic Acid
• Synonyms: (2S)-2-Amino-3-[5-[Bis(2-Chloroethyl)Amino]-2-Methyl-Phenyl]Propanoic Acid; (2S)-2-Amino-3-[5-[Bis(2-Chloroethyl)Amino]-2-Methyl-Phenyl]Propionic Acid; 2-Methyl-5-Bis(Beta-Chloroethyl)Aminophenylalanine
• Molecular Formula: C₁₄H₂₀Cl₂N₂O₂
• Molecular Weight: 319.23
• CAS Registry Number: 74980-06-6
• SMILES: [C@H](C(=O)O)(N)CC1=CC(=CC=C1C)N(CCCl)CCCl
• InChI: 1S/C14H20Cl2N2O2/c1-10-2-3-12(18(6-4-15)7-5-16)8-11(10)9-13(17)14(19)20/h2-3,8,13H,4-7,9,17H2,1H3,(H,19,20)/t13-/m0/s1
• InChIKey: UUTGSFMMHKOJCA-ZDUSSCGKSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 506.028°C at 760 mmHg (Cal.)
• Flash point: 259.836°C (Cal.)