(1R,3R,4S,6S)-4,7,7-Trimethyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)bicyclo[4.1.0]heptane-3-carboxylic acid
[CAS# 654680-62-3]

Identification

• Name: (1R,3R,4S,6S)-4,7,7-Trimethyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)bicyclo[4.1.0]heptane-3-carboxylic acid
• Molecular Formula: C₁₆H₂₇NO₄
• Molecular Weight: 297.39
• CAS Registry Number: 654680-62-3
• SMILES: CC2(C)[C@@H]1C[C@@H](C(O)=O)[C@@](C)(NC(=O)OC(C)(C)C)C[C@@H]12
• InChI: 1S/C16H27NO4/c1-14(2,3)21-13(20)17-16(6)8-11-9(15(11,4)5)7-10(16)12(18)19/h9-11H,7-8H2,1-6H3,(H,17,20)(H,18,19)/t9-,10+,11+,16+/m1/s1
• InChIKey: IRUHFNNIILKLHJ-INLINHOESA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 419.187°C at 760 mmHg (Cal.)
• Flash point: 207.317°C (Cal.)
• Refractive index: 1.513 (Cal.)