1-(Phenylthio)cyclohexanecarboxylic acid 3-(diethylamino)propyl ester oxalate

Base Information

• Chemical Name: 1-(Phenylthio)cyclohexanecarboxylic acid 3-(diethylamino)propyl ester oxalate
• CAS No.: 101329-96-8
• Molecular Formula: C22H33NO6S
• Molecular Weight: 439.5655
• DSSTox Substance ID: DTXSID10143851

Synonyms:1-(Phenylthio)cyclohexanecarboxylic acid 3-(diethylamino)propyl ester oxalate;101329-96-8;Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(diethylamino)propyl ester, ethanedioate (1:1);DTXSID10143851;C20H31NO2S.C2H2O4;LS-56744;C20-H31-N-O2-S.C2-H2-O4

Chemical Property of 1-(Phenylthio)cyclohexanecarboxylic acid 3-(diethylamino)propyl ester oxalate

Chemical Property:

• Vapor Pressure: 1.44E-08mmHg at 25°C
• Boiling Point: 457.9°C at 760 mmHg
• Flash Point: 230.7°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 439.20285895
• Heavy Atom Count: 30
• Complexity: 430

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCCOC(=O)C1(CCCCC1)SC2=CC=CC=C2.C(=O)(C(=O)O)O

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