3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate

Base Information

• Chemical Name: 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate
• CAS No.: 103785-34-8
• Molecular Formula: C28H33N3O5
• Molecular Weight: 491.5787
• Mol file: 103785-34-8.mol

Synonyms:3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate;5-Isoxazolamine, 3-phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-, (E)-2-butenedioate (1:1);103785-34-8;C24H29N3O.C4H4O4;LS-86494;C24-H29-N3-O.C4-H4-O4

Chemical Property of 3-Phenyl-N-(phenylmethyl)-N-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate

Chemical Property:

• Vapor Pressure: 1.7E-12mmHg at 25°C
• Boiling Point: 558.2°Cat760mmHg
• Flash Point: 291.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 491.24202116
• Heavy Atom Count: 36
• Complexity: 571

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCN(CC1=CC=CC=C1)C2=CC(=NO2)C3=CC=CC=C3)[NH+]4CCCC4.C(=CC(=O)[O-])C(=O)O
• Isomeric SMILES: CC(CCN(CC1=CC=CC=C1)C2=CC(=NO2)C3=CC=CC=C3)[NH+]4CCCC4.C(=C/C(=O)[O-])\C(=O)O