(3aR,6aS)-3-Imino-3A,4,5,6-Tetrahydro-1,6A(3H)-Pentalenediol
[CAS# 455893-07-9]

Identification

• Name: (3aR,6aS)-3-Imino-3A,4,5,6-Tetrahydro-1,6A(3H)-Pentalenediol
• Synonyms: (3aR,6aS)-3-imino-3,3a,4,5,6,6a-hexahydropentalene-1,6a-diol
• Molecular Formula: C₈H₁₁NO₂
• Molecular Weight: 153.18
• CAS Registry Number: 455893-07-9
• SMILES: C1C[C@@H]2C(=N)C=C([C@@]2(C1)O)O
• InChI: 1S/C8H11NO2/c9-6-4-7(10)8(11)3-1-2-5(6)8/h4-5,9-11H,1-3H2/t5-,8+/m1/s1
• InChIKey: QSRGQWUBZJSJOM-XRGYYRRGSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 336.6±42.0°C at 760 mmHg (Cal.)
• Flash point: 157.4±27.9°C (Cal.)
• Refractive index: 1.688 (Cal.)