1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate

Base Information

• Chemical Name: 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate
• CAS No.: 57165-48-7
• Molecular Formula: C27H33NO11
• Molecular Weight: 547.551
• DSSTox Substance ID: DTXSID00205811
• Mol file: 57165-48-7.mol

Synonyms:1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate;1,3-Benzodioxole-5-propanamine, alpha-(2-(1,3-benzodioxol-5-yl)ethyl)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (salt);57165-48-7;DTXSID00205811;C21H25NO4.C6H8O7;LS-34757

Chemical Property of 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate

Chemical Property:

• Vapor Pressure: 1.79E-09mmHg at 25°C
• Boiling Point: 482.7°Cat760mmHg
• Flash Point: 138.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 547.20536087
• Heavy Atom Count: 39
• Complexity: 637

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(CCC1=CC2=C(C=C1)OCO2)CCC3=CC4=C(C=C3)OCO4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O