5-[(1S,5S)-3,6-Diazabicyclo[3.2.0]hept-3-yl]nicotinonitrile
[CAS# 799279-93-9]

Identification

• Name: 5-[(1S,5S)-3,6-Diazabicyclo[3.2.0]hept-3-yl]nicotinonitrile
• Synonyms: (1S,5S)-5-(3,6-diaza-bicyclo[3.2.0]hept-3-yl)nicotinonitrile; 5-((1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl)nicotinonitrile
• Molecular Formula: C₁₁H₁₂N₄
• Molecular Weight: 200.24
• CAS Registry Number: 799279-93-9
• SMILES: C1[C@H]2CN(C[C@H]2N1)C3=CN=CC(=C3)C#N
• InChI: 1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-6-9-4-14-11(9)7-15/h1,3,5,9,11,14H,4,6-7H2/t9-,11+/m0/s1
• InChIKey: KGHKOOLJKCBUSS-GXSJLCMTSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 398.4±32.0°C at 760 mmHg (Cal.)
• Flash point: 194.7±25.1°C (Cal.)
• Refractive index: 1.649 (Cal.)