(3aR,6aS)-4-Amino-6-Imino-2,3,6,6A-Tetrahydro-3A(1H)-Pentalenol
[CAS# 455893-05-7]

Identification

• Name: (3aR,6aS)-4-Amino-6-Imino-2,3,6,6A-Tetrahydro-3A(1H)-Pentalenol
• Synonyms: (3aR,6aS)-4-amino-6-imino-1,2,3,3a,6,6a-hexahydropentalen-3a-ol
• Molecular Formula: C₈H₁₂N₂O
• Molecular Weight: 152.19
• CAS Registry Number: 455893-05-7
• SMILES: C1C[C@H]2C(=N)C=C([C@]2(C1)O)N
• InChI: 1S/C8H12N2O/c9-6-4-7(10)8(11)3-1-2-5(6)8/h4-5,9,11H,1-3,10H2/t5-,8+/m0/s1
• InChIKey: UUOUZEHGGSWHCZ-YLWLKBPMSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 324.7±42.0°C at 760 mmHg (Cal.)
• Flash point: 150.2±27.9°C (Cal.)
• Refractive index: 1.717 (Cal.)