1-(4-(Ethylsulfinyl)phenyl)-2-methyl-3-(1-piperidinyl)-1-propanone (E)-2-butenedioate (1:1)

Base Information

• Chemical Name: 1-(4-(Ethylsulfinyl)phenyl)-2-methyl-3-(1-piperidinyl)-1-propanone (E)-2-butenedioate (1:1)
• CAS No.: 69566-31-0
• Molecular Formula: C21H29NO6S
• Molecular Weight: 423.5231

Synonyms:1-(4-Ethylsulfinylphenyl)piperidino-2-methylpropanone-1 fumarate;1-(4-(Ethylsulfinyl)phenyl)-2-methyl-3-(1-piperidinyl)-1-propanone (E)-2-butenedioate (1:1);1-Propanone, 1-(4-(ethylsulfinyl)phenyl)-2-methyl-3-(1-piperidinyl)-, (E)-2-butenedioate (1:1);69566-31-0;C17H25NO2S.C4H4O4;LS-122999;C17-H25-N-O2-S.C4-H4-O4

Chemical Property of 1-(4-(Ethylsulfinyl)phenyl)-2-methyl-3-(1-piperidinyl)-1-propanone (E)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 1.12E-09mmHg at 25°C
• Boiling Point: 488.1°C at 760 mmHg
• Flash Point: 249°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 423.17155882
• Heavy Atom Count: 29
• Complexity: 477

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)C1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCS(=O)C1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.C(=C/C(=O)O)\C(=O)O

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