cis-(-)-2,3,4,4a,5,9b-Hexahydro-2,8-dimethyl-1H-pyrido(4,3-b)indole dipalmitate

Base Information

• Chemical Name: cis-(-)-2,3,4,4a,5,9b-Hexahydro-2,8-dimethyl-1H-pyrido(4,3-b)indole dipalmitate
• CAS No.: 95751-54-5
• Molecular Formula: C31H54N2O2
• Molecular Weight: 486.7727
• DSSTox Substance ID: DTXSID10914821

Synonyms:DTXSID10914821;Hexadecanoic acid--2,4a,8,9b-tetramethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (1/1)

Chemical Property of cis-(-)-2,3,4,4a,5,9b-Hexahydro-2,8-dimethyl-1H-pyrido(4,3-b)indole dipalmitate

Chemical Property:

• Vapor Pressure: 3.28E-05mmHg at 25°C
• Boiling Point: 340.6°C at 760 mmHg
• Flash Point: 154.1°C
• PSA: 15.27000
• LogP: 4.05830
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 486.41852897
• Heavy Atom Count: 35
• Complexity: 494

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)O.CC1=CC2=C(C=C1)NC3(C2(CN(CC3)C)C)C
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)O.CC1=CC2=C(C=C1)N[C@]3([C@@]2(CN(CC3)C)C)C

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