N-Desmethylstobadine
[CAS# 70539-83-2]

Identification

• Name: N-Desmethylstobadine
• Synonyms: Ndms; 1H-Pyrido(4,3-B)Indole, 2,3,4,4A,5,9B-Hexahydro-8-Methyl-, Trans-; N-Desmethylstobadine
• Molecular Formula: C₁₂H₁₆N₂
• Molecular Weight: 188.27
• CAS Registry Number: 70539-83-2
• SMILES: [C@H]12NC3=C([C@@H]1CNCC2)C=C(C=C3)C
• InChI: 1S/C12H16N2/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11/h2-3,6,10,12-14H,4-5,7H2,1H3/t10-,12+/m0/s1
• InChIKey: XYIPZQCDLAFBSX-CMPLNLGQSA-N

Properties

• Density: 1.053g/cm³ (Cal.)
• Boiling point: 315.517°C at 760 mmHg (Cal.)
• Flash point: 187.279°C (Cal.)