3-benzhydryl-1-methylpyrrolidine;(Z)-but-2-enedioic acid

Base Information

• Chemical Name: 3-benzhydryl-1-methylpyrrolidine;(Z)-but-2-enedioic acid
• CAS No.: 60504-63-4
• Molecular Formula: C22H25NO4
• Molecular Weight: 367.4382
• NSC Number: 309945
• DSSTox Substance ID: DTXSID00419496
• Mol file: 60504-63-4.mol

Synonyms:NSC309945;60504-63-4;DTXSID00419496;NSC-309945

Chemical Property of 3-benzhydryl-1-methylpyrrolidine;(Z)-but-2-enedioic acid

Chemical Property:

• Vapor Pressure: 4.17E-05mmHg at 25°C
• Boiling Point: 351.2°C at 760 mmHg
• Flash Point: 150.3°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 367.17835828
• Heavy Atom Count: 27
• Complexity: 364

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(C1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1CCC(C1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O