7,14-Methano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, (7S-(7alpha,7abeta,14alpha))-

Base Information

• Chemical Name: 7,14-Methano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, (7S-(7alpha,7abeta,14alpha))-
• CAS No.: 32101-29-4
• Molecular Formula: C15H22 N2 O
• Molecular Weight: 246.352
• Nikkaji Number: J102.927D
• Wikidata: Q105017577
• Mol file: 32101-29-4.mol

Synonyms:5,6-dehydro-lupanine;5,6-dehydrolupanine

Chemical Property of 7,14-Methano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, (7S-(7alpha,7abeta,14alpha))-

Chemical Property:

• Vapor Pressure: 9.53E-08mmHg at 25°C
• Boiling Point: 434.4°C at 760 mmHg
• PKA: 9.42±0.20(Predicted)
• Flash Point: 200.1°C
• PSA: 23.55000
• Density: 1.19g/cm³
• LogP: 1.87270
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 246.173213330
• Heavy Atom Count: 18
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN2CC3CC(C2C1)CN4C3=CCCC4=O
• Isomeric SMILES: C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4C3=CCCC4=O

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