5-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Valeric Acid
[CAS# 64508-90-3]

Identification

• Name: 5-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Valeric Acid
• Synonyms: 5-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Valeric Acid; 4-(Bis(2-Chloroethyl)Amino)Benzenepentanoic Acid; 4-14-00-01738 (Beilstein Handbook Reference)
• Molecular Formula: C₁₅H₂₁Cl₂NO₂
• Molecular Weight: 318.24
• CAS Registry Number: 64508-90-3
• SMILES: C1=C(N(CCCl)CCCl)C=CC(=C1)CCCCC(=O)O
• InChI: 1S/C15H21Cl2NO2/c16-9-11-18(12-10-17)14-7-5-13(6-8-14)3-1-2-4-15(19)20/h5-8H,1-4,9-12H2,(H,19,20)
• InChIKey: YQMOTGVJXOHLKM-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 490.441°C at 760 mmHg (Cal.)
• Flash point: 250.41°C (Cal.)