4-[(2-Ethylhexyl)Amino]-4-Oxoisocrotonic Acid
[CAS# 6975-33-3]

Identification

• Name: 4-[(2-Ethylhexyl)Amino]-4-Oxoisocrotonic Acid
• Synonyms: 4-(2-Ethylhexylamino)-4-Oxobut-2-Enoic Acid; (E)-4-(2-Ethylhexylamino)-4-Oxo-But-2-Enoic Acid; 4-(2-Ethylhexylamino)-4-Oxo-But-2-Enoic Acid
• Molecular Formula: C₁₂H₂₁NO₃
• Molecular Weight: 227.30
• CAS Registry Number: 6975-33-3
• EINECS: 230-233-5
• SMILES: C(NC(=O)\C=C\C(=O)O)C(CCCC)CC
• InChI: 1S/C12H21NO3/c1-3-5-6-10(4-2)9-13-11(14)7-8-12(15)16/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)(H,15,16)/b8-7+
• InChIKey: GKRPTTYZZLGANE-BQYQJAHWSA-N

Properties

• Density: 1.028g/cm³ (Cal.)
• Boiling point: 411.755°C at 760 mmHg (Cal.)
• Flash point: 202.822°C (Cal.)