(1R,3R,6S,7R)-6,7-Dimethyl-4-Azatricyclo[4.3.0.0^3,7]Nonane-3-Carbonitrile
[CAS# 518314-75-5]

Identification

• Name: (1R,3R,6S,7R)-6,7-Dimethyl-4-Azatricyclo[4.3.0.0^3,7]Nonane-3-Carbonitrile
• Synonyms: (1R,3aS,4R,6aR)-3a,6a-dimethyloctahydro-1,4-methanocyclopenta[c]pyrrole-1-carbonitrile
• Molecular Formula: C₁₁H₁₆N₂
• Molecular Weight: 176.26
• CAS Registry Number: 518314-75-5
• SMILES: C[C@@]12CC[C@H]3[C@@]1(CN[C@@]2(C3)C#N)C
• InChI: 1S/C11H16N2/c1-9-7-13-11(6-12)5-8(9)3-4-10(9,11)2/h8,13H,3-5,7H2,1-2H3/t8-,9+,10-,11+/m1/s1
• InChIKey: VTWMQWOGTQTYKI-YTWAJWBKSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 273.3±23.0°C at 760 mmHg (Cal.)
• Flash point: 119.1±22.6°C (Cal.)
• Refractive index: 1.553 (Cal.)