(2S)-2-(3-Aminopropanoylamino)-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoic Acid
[CAS# 112710-37-9]

Identification

• Name: (2S)-2-(3-Aminopropanoylamino)-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoic Acid
• Synonyms: (2S)-2-[(3-Amino-1-Oxopropyl)Amino]-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoic Acid; (2S)-2-(3-Aminopropanoylamino)-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propionic Acid; L-Phenylalanine, N-Beta-Alanyl-4-(Bis(2-Chloroethyl)Amino)-
• Molecular Formula: C₁₆H₂₃Cl₂N₃O₃
• Molecular Weight: 376.28
• CAS Registry Number: 112710-37-9
• SMILES: [C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)(C(O)=O)NC(=O)CCN
• InChI: 1S/C16H23Cl2N3O3/c17-6-9-21(10-7-18)13-3-1-12(2-4-13)11-14(16(23)24)20-15(22)5-8-19/h1-4,14H,5-11,19H2,(H,20,22)(H,23,24)/t14-/m0/s1
• InChIKey: LORKXDSAKCGGGI-AWEZNQCLSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 630.382°C at 760 mmHg (Cal.)
• Flash point: 335.043°C (Cal.)