(+)-Cyclazocine
[CAS# 3572-80-3]

Identification

• Name: (+)-Cyclazocine
• Synonyms: (2Alpha,6Alpha,11R*)-(1)-3-(Cyclopropylmethyl)-1,2,3,4,5,6-Hexahydro-6,11-Dimethyl-2,6-Methano-3-Benzazocin-8-Ol; 2, 6-Methano-3-Benzazocin-8-Ol, 1,2,3,4,5, 6-Hexahydro-3-(Cyclopropylmethyl)-6,11-Dimethyl-
• Molecular Formula: C₁₈H₂₅NO
• Molecular Weight: 271.40
• CAS Registry Number: 3572-80-3
• EINECS: 230-866-7
• SMILES: C4=C3C2(C(C(N(CC1CC1)CC2)CC3=CC=C4O)C)C
• 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.