2-[{[(3,4-Dimethoxyphenyl)methyl]imino}(hydroxy)methyl]pyrrolidin-1-ium

Base Information

• Chemical Name: 2-[{[(3,4-Dimethoxyphenyl)methyl]imino}(hydroxy)methyl]pyrrolidin-1-ium
• CAS No.: 438581-56-7
• Molecular Formula: C14H21N2O3+
• Molecular Weight: 264.32
• DSSTox Substance ID: DTXSID90963130
• Mol file: 438581-56-7.mol

Synonyms:DTXSID90963130;2-[{[(3,4-Dimethoxyphenyl)methyl]imino}(hydroxy)methyl]pyrrolidin-1-ium

Chemical Property of 2-[{[(3,4-Dimethoxyphenyl)methyl]imino}(hydroxy)methyl]pyrrolidin-1-ium

Chemical Property:

• Vapor Pressure: 2.23E-09mmHg at 25°C
• Boiling Point: 480.1°Cat760mmHg
• Flash Point: 244.2°C
• PSA: 59.59000
• Density: g/cm³
• LogP: 1.79170
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 265.15521754
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

98%min ^*data from raw suppliers

Pyrrolidine-2-carboxylic acid 3,4-dimethoxy-benzylamide oxalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CNC(=O)C2CCC[NH2+]2)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)CNC(=O)[C@H]2CCC[NH2+]2)OC