N-Desethyl Milnacipran
Basic information
- CAS
105310-07-4- Standard SMILES
CCNC(=O)[C@]1(c2ccccc2)C[C@@H]1CN- InChIKey
UVKUMJGXPDEXSQ-YPMHNXCESA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.1419132
Names & identifiers
- Preferred name
- N-Desethyl Milnacipran
- IUPAC
- cis-(1R,2S)-2-(aminomethyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
- English name
- N-Desethyl Milnacipran
- Molecular formula
- C13H18N2O
- Molecular weight
- 218.3
Names & synonyms
N-Desethyl Milnacipran105310-07-4(1R,2S)-2-(aminomethyl)-N-ethyl-1-phenylcyclopropane-1-carboxamideF-2800WHM9921F76Cyclopropanecarboxamide, 2-(aminomethyl)-N-ethyl-1-phenyl-, cis-Cyclopropanecarboxamide, 2-(aminomethyl)-N-ethyl-1-phenyl-, (1R,2S)-rel-UNII-WHM9921F76Q27292640F 2800N-Deethylated MilnacipranMilnacipran Impurity 20 (N-Desethyl Milnacipran HCl)
Show more names
cis-2-(AMinoMethyl)-N-ethyl-1-phenylcyclopropanecarboxaMide(1R,2S)-rel-2-(AMinoMethyl)-N-ethyl-1-phenylcyclopropanecarboxaMide
Database identifiers
- CAS
105310-07-4- PubChem CID
- 59929
- UNII
- WHM9921F76
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 418.5 · 418.5±24.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Thick Oil
- pka
- 15.81 · 15.81±0.40(Predicted)
- color
- Pale Yellow to Light Yellow
- FDA UNII
- 9921 F76 · WHM9921F76
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA metabolite of Milnacipran.
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Related reactions
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Compound notes
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