(8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate

Base Information

• Chemical Name: (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate
• CAS No.: 549-64-4
• Molecular Formula: C29H32N2O4
• Molecular Weight: 472.57538
• European Community (EC) Number: 208-974-0
• Mol file: 549-64-4.mol

Synonyms:EINECS 208-974-0;(8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate;549-64-4;2-Propenoic acid, 3-phenyl-, compd with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1);Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, mono(3-phenyl-2-propenoate) (salt)

Chemical Property of (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate

Chemical Property:

• Boiling Point: 495.9°Cat760mmHg
• Flash Point: 253.7°C
• PSA: 82.89000
• Density: g/cm³
• LogP: 4.89550
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 472.23620751
• Heavy Atom Count: 35
• Complexity: 612

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C1=CC=C(C=C1)C=CC(=O)O
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C1=CC=C(C=C1)/C=C/C(=O)O