2-Amino-4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoic Acid
[CAS# 3688-35-5]

Identification

• Name: 2-Amino-4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoic Acid
• Synonyms: 2-Amino-4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butyric Acid; Cb 1385; 2-Amino-4-(P-(Bis(2-Chloroethyl)Amino)Phenyl)Butyric Acid
• Molecular Formula: C₁₄H₂₀Cl₂N₂O₂
• Molecular Weight: 319.23
• CAS Registry Number: 3688-35-5
• SMILES: C1=C(N(CCCl)CCCl)C=CC(=C1)CCC(C(O)=O)N
• InChI: 1S/C14H20Cl2N2O2/c15-7-9-18(10-8-16)12-4-1-11(2-5-12)3-6-13(17)14(19)20/h1-2,4-5,13H,3,6-10,17H2,(H,19,20)
• InChIKey: WBIFEHLOTPXXKS-UHFFFAOYSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 486.343°C at 760 mmHg (Cal.)
• Flash point: 247.932°C (Cal.)