10-(Cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.0^2,7]trideca-2,4,6-trien-4-ol
[CAS# 7313-86-2]

Identification

• Name: 10-(Cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.0^2,7]trideca-2,4,6-trien-4-ol
• Synonyms: (-)-Cyclazocine; (2α,6α,11R*)-(1)-3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol; (cyclazocine) 3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
• Molecular Formula: C₁₈H₂₅NO
• Molecular Weight: 271.40
• CAS Registry Number: 7313-86-2
• SMILES: CC1C2CC3=C(C1(CCN2CC4CC4)C)C=C(C=C3)O
• InChI: 1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3
• InChIKey: YQYVFVRQLZMJKJ-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 399.2±42.0°C at 760 mmHg (Cal.)
• Flash point: 188.7±26.5°C (Cal.)

References

• (1): Suwatchai Jarussophon, Stephane Acoca, Jin-Ming Gao, Christophe Deprez, Taira Kiyota, Cristina Draghici, Enrico Purisima and Yasuo Konishi. Automated molecular formula determination by tandem mass spectrometry (MS/MS), Analyst, 2009, 134, 690.