(E)-4-[Bis(2-Chloroethyl)Amino]But-3-En-2-One
[CAS# 54139-52-5]

Identification

• Name: (E)-4-[Bis(2-Chloroethyl)Amino]But-3-En-2-One
• Synonyms: 3-Buten-2-One, 4-(Bis(2-Chloroethyl)Amino)-; 4-(Bis(2-Chloroethyl)Amino)-3-Buten-2-One
• Molecular Formula: C₈H₁₃Cl₂NO
• Molecular Weight: 210.10
• CAS Registry Number: 54139-52-5
• SMILES: C(N(\C=C\C(=O)C)CCCl)CCl
• InChI: 1S/C8H13Cl2NO/c1-8(12)2-5-11(6-3-9)7-4-10/h2,5H,3-4,6-7H2,1H3/b5-2+
• InChIKey: HYPUWAYVEZCBKH-GORDUTHDSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 301.66°C at 760 mmHg (Cal.)
• Flash point: 136.239°C (Cal.)