2-Methyl-2-propanyl [cyano(3,4,5-trimethoxyphenyl)methyl]carbamate
[CAS# 904818-28-6]

Identification

• Name: 2-Methyl-2-propanyl [cyano(3,4,5-trimethoxyphenyl)methyl]carbamate
• Synonyms: [Cyano-(3,4,5-trimethoxy-phenyl)-methyl]-carbamic acid tert-butyl ester; tert-butyl N-[(3,4,5-trimethoxyphenyl)(cyano)methyl]carbamate; tert-butyl N-[cyano(3,4,5-trimethoxyphenyl)methyl]carbamate
• Molecular Formula: C₁₆H₂₂N₂O₅
• Molecular Weight: 322.36
• CAS Registry Number: 904818-28-6
• SMILES: CC(C)(C)OC(=O)NC(C#N)c1cc(c(c(c1)OC)OC)OC
• InChI: 1S/C16H22N2O5/c1-16(2,3)23-15(19)18-11(9-17)10-7-12(20-4)14(22-6)13(8-10)21-5/h7-8,11H,1-6H3,(H,18,19)
• InChIKey: ZKRLJVLPKIWXMY-UHFFFAOYSA-N

Properties

• Density: 1.138g/cm³ (Cal.)
• Boiling point: 459.204°C at 760 mmHg (Cal.)
• Flash point: 231.518°C (Cal.)
• Refractive index: 1.506 (Cal.)