O,N-didesmethyltramadol

Base Information

• Chemical Name: O,N-didesmethyltramadol
• CAS No.: 144830-18-2
• Molecular Formula: C₁₄H₂₁NO₂
• Molecular Weight: 235.326
• UNII: F6F6QC876T
• DSSTox Substance ID: DTXSID90932422
• Nikkaji Number: J1.150.602J
• Wikidata: Q27896713
• Mol file: 144830-18-2.mol

Synonyms:O,N-didemethyltramadol;O,N-didesmethyltramadol

Chemical Property of O,N-didesmethyltramadol

Chemical Property:

• Appearance/Colour: White Solid
• Melting Point: 71-73 °C
• Refractive Index: 1.562
• Boiling Point: 407.907 °C at 760 mmHg
• PKA: 10.00±0.10(Predicted)
• Flash Point: 144.933 °C
• PSA: 52.49000
• Density: 1.116 g/cm³
• LogP: 2.38030
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.157228913
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

(+)-N,O-DidesmethylTramadol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1CCCCC1(C2=CC(=CC=C2)O)O
• Isomeric SMILES: CNC[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O
• Uses: An optically active metabolite of Tramadol.