(E)-but-2-enedioic acid;(1-methylpiperidin-4-yl) 3-methyl-2-phenylpentanoate

Base Information

• Chemical Name: (E)-but-2-enedioic acid;(1-methylpiperidin-4-yl) 3-methyl-2-phenylpentanoate
• CAS No.: 635-32-5
• Molecular Formula: C22H29NO5
• Molecular Weight: 387.46936
• NSC Number: 166512
• Mol file: 635-32-5.mol

Synonyms:NSC166512;NSC-166512

Chemical Property of (E)-but-2-enedioic acid;(1-methylpiperidin-4-yl) 3-methyl-2-phenylpentanoate

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
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 405.21513771
• Heavy Atom Count: 29
• Complexity: 436

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)OC2CCN(CC2)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCC(C)C(C1=CC=CC=C1)C(=O)OC2CCN(CC2)C.C(=C/C(=O)O)\C(=O)O