2-Amino-3-[5-[Bis(2-Chloroethyl)Amino]-1-Phenylbenzimidazol-2-Yl]Propanoic Acid
[CAS# 31539-54-5]

Identification

• Name: 2-Amino-3-[5-[Bis(2-Chloroethyl)Amino]-1-Phenylbenzimidazol-2-Yl]Propanoic Acid
• Synonyms: 2-Amino-3-[5-[Bis(2-Chloroethyl)Amino]-1-Phenyl-Benzimidazol-2-Yl]Propanoic Acid; 2-Amino-3-[5-[Bis(2-Chloroethyl)Amino]-1-Phenyl-2-Benzimidazolyl]Propanoic Acid; 2-Amino-3-[5-[Bis(2-Chloroethyl)Amino]-1-Phenyl-Benzimidazol-2-Yl]Propionic Acid
• Molecular Formula: C₂₀H₂₂Cl₂N₄O₂
• Molecular Weight: 421.33
• CAS Registry Number: 31539-54-5
• SMILES: C2=C1N=C([N](C1=CC=C2N(CCCl)CCCl)C3=CC=CC=C3)CC(N)C(=O)O
• InChI: 1S/C20H22Cl2N4O2/c21-8-10-25(11-9-22)15-6-7-18-17(12-15)24-19(13-16(23)20(27)28)26(18)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13,23H2,(H,27,28)
• InChIKey: NMSSNIMMZNQSNV-UHFFFAOYSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Boiling point: 647.394°C at 760 mmHg (Cal.)
• Flash point: 345.332°C (Cal.)