Basic information
- CAS
247061-07-0- Standard SMILES
CCCN1CCCC[C@H]1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C- InChIKey
KRANSHYISPICMC-HNNXBMFYSA-N- Molecular formula
- C17H25N3O3
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.18959167
Names & identifiers
- Preferred name
- 3-Nitro Ropivacaine
- IUPAC
- (2S)-N-(2,6-dimethyl-3-nitrophenyl)-1-propylpiperidine-2-carboxamide
- English name
- (2S)-N-(2,6-DiMethyl-3-nitrophenyl)-1-propyl-2-piperidinecarboxaMide
- Molecular formula
- C17H25N3O3
- Molecular weight
- 319.4
Names & synonyms
3-Nitro Ropivacaine247061-07-0(2S)-N-(2,6-Dimethyl-3-nitrophenyl)-1-propylpiperidine-2-carboxamideDTXSID50858199(2S)-N-(2,6-DiMethyl-3-nitrophenyl)-1-propyl-2-piperidinecarboxaMide2-Piperidinecarboxamide, N-(2,6-dimethyl-3-nitrophenyl)-1-propyl-, (2S)-Pramipexole Impurity 4-d3 Dihydrochloride（Pramipexole EP Impurity D-d3 Dihydrochloride）
Database identifiers
- CAS
247061-07-0- PubChem CID
- 71751111
- DTXSID
DTXSID50858199
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Melting point
- 125 · 125-128oC
- Boiling point
- 464.6 · 464.6±45.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol (Slightly)
- pka
- 13.93 · 13.93±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesIntermediate in the synthesis of a major Ropivacaine (R675000) metabolite.
Suppliers5 total
湖北扬信医药科技有限公司15347293736 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
苏州宸瑞生物科技有限公司17625585511 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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