Methyl (7-Oxo-1,5-Heptadiyn-4-Yl)Carbamate
[CAS# 217442-31-4]

Identification

• Name: Methyl (7-Oxo-1,5-Heptadiyn-4-Yl)Carbamate
• Synonyms: methyl (7-oxohepta-1,5-diyn-4-yl)carbamate
• Molecular Formula: C₉H₉NO₃
• Molecular Weight: 179.17
• CAS Registry Number: 217442-31-4
• SMILES: COC(=O)NC(CC#C)C#CC=O
• InChI: 1S/C9H9NO3/c1-3-5-8(6-4-7-11)10-9(12)13-2/h1,7-8H,5H2,2H3,(H,10,12)
• InChIKey: AQWKYPAKSRGQHK-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 346.735°C at 760 mmHg (Cal.)
• Flash point: 163.5°C (Cal.)
• Refractive index: 1.497 (Cal.)