3-Methyl-2-phenylvaleroyl 1-methyl-4-piperidyl fumarate

Base Information

• Chemical Name: 3-Methyl-2-phenylvaleroyl 1-methyl-4-piperidyl fumarate
• CAS No.: 635-32-5
• Molecular Formula: C22H29NO5
• Molecular Weight: 387.46936
• European Community (EC) Number: 211-233-4
• Mol file: 635-32-5.mol

Synonyms:EINECS 211-233-4;3-Methyl-2-phenylvaleroyl 1-methyl-4-piperidyl fumarate;635-32-5;C18H27NO2.C4H4O4;C18-H27-N-O2.C4-H4-O4;Valeric acid, 3-methyl-2-phenyl-, 1-methyl-4-piperidyl ester, fumarate (1:1);Benzeneacetic acid, .alpha.-(1-methylpropyl)-, 1-methyl-4-piperidinyl ester, (E)-2-butenedioate (1:1)

Chemical Property of 3-Methyl-2-phenylvaleroyl 1-methyl-4-piperidyl fumarate

Chemical Property:

• Vapor Pressure: 1.37E-10mmHg at 25°C
• Boiling Point: 511.8°C at 760 mmHg
• Flash Point: 263.3°C
• Density: 1.14g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 387.20457303
• Heavy Atom Count: 28
• Complexity: 559

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C1=CC=CC=C1)C(=O)OC(=O)C=CC(=O)OC2CCN(CC2)C
• Isomeric SMILES: CCC(C)C(C1=CC=CC=C1)C(=O)OC(=O)/C=C/C(=O)OC2CCN(CC2)C