Ethyl N-[(3S)-5-Chloro-3-[(4-Diethylamino-2-Methylphenyl)Iminomethyl]-4-Methyl-6-Oxo-1-Cyclohexa-1,4-Dienyl]Carbamate
[CAS# 125630-94-6]

Identification

• Name: Ethyl N-[(3S)-5-Chloro-3-[(4-Diethylamino-2-Methylphenyl)Iminomethyl]-4-Methyl-6-Oxo-1-Cyclohexa-1,4-Dienyl]Carbamate
• Synonyms: Ethyl N-[(3S)-5-Chloro-3-[(4-Diethylamino-2-Methyl-Phenyl)Iminomethyl]-4-Methyl-6-Oxo-1-Cyclohexa-1,4-Dienyl]Carbamate; N-[(3S)-5-Chloro-3-[(4-Diethylamino-2-Methylphenyl)Iminomethyl]-4-Methyl-6-Oxo-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Ethyl Ester; N-[(3S)-5-Chloro-3-[(4-Diethylamino-2-Methyl-Phenyl)Iminomethyl]-6-Keto-4-Methyl-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Ethyl Ester
• Molecular Formula: C₂₂H₂₈ClN₃O₃
• Molecular Weight: 417.93
• CAS Registry Number: 125630-94-6
• SMILES: [C@@H]1(C=C(NC(=O)OCC)C(C(=C1C)Cl)=O)C=NC2=CC=C(C=C2C)N(CC)CC
• InChI: 1S/C22H28ClN3O3/c1-6-26(7-2)17-9-10-18(14(4)11-17)24-13-16-12-19(25-22(28)29-8-3)21(27)20(23)15(16)5/h9-13,16H,6-8H2,1-5H3,(H,25,28)/t16-/m1/s1
• InChIKey: PXALOSRQFNJYSK-MRXNPFEDSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 597.958°C at 760 mmHg (Cal.)
• Flash point: 315.434°C (Cal.)