(Z)-3-[(4-Methyl-1-Phenyl-Pentan-3-Yl)Carbamoyl]Prop-2-Enoic Acid
[CAS# 4812-71-9]

Identification

• Name: (Z)-3-[(4-Methyl-1-Phenyl-Pentan-3-Yl)Carbamoyl]Prop-2-Enoic Acid
• Synonyms: (Z)-4-[[2-Methyl-1-(2-Phenylethyl)Propyl]Amino]-4-Oxo-But-2-Enoic Acid; (Z)-4-[[2-Methyl-1-(2-Phenylethyl)Propyl]Amino]-4-Oxobut-2-Enoic Acid; (Z)-4-Keto-4-[[2-Methyl-1-(2-Phenylethyl)Propyl]Amino]But-2-Enoic Acid
• Molecular Formula: C₁₆H₂₁NO₃
• Molecular Weight: 275.35
• CAS Registry Number: 4812-71-9
• SMILES: C1=C(C=CC=C1)CCC(C(C)C)NC(=O)\C=C/C(O)=O
• InChI: 1S/C16H21NO3/c1-12(2)14(17-15(18)10-11-16(19)20)9-8-13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,17,18)(H,19,20)/b11-10-
• InChIKey: OKGJLFMCKIQASQ-KHPPLWFESA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 492.365°C at 760 mmHg (Cal.)
• Flash point: 251.574°C (Cal.)