Basic information
- CAS
223714-08-7- Standard SMILES
O=[N+]([O-])C=CN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1- InChIKey
HOLCEDGGZHGEDK-SFHVURJKSA-N- Molecular formula
- C19H20N2O3
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1473925
Names & identifiers
- Preferred name
- [(2S)-1-(2-nitroethenyl)pyrrolidin-2-yl]-diphenylmethanol
- IUPAC
- [(2S)-1-(2-nitroethenyl)pyrrolidin-2-yl]-diphenylmethanol
- English name
- (2S)-1-(2-nitroethenyl)-,-diphenyl-2-pyrrolidinemethanol
- Molecular formula
- C19H20N2O3
- Molecular weight
- 324.37
Names & synonyms
(2S)-1-(2-nitroethenyl)-,-diphenyl-2-pyrrolidinemethanol(2S)-1-(2-Nitroethenyl)-a,a-diphenyl-2-pyrrolidinemethanol(2s)-1-(2-Nitroethenyl)-|á, |á-diphenyl-2-pyrrolidinemethanol2-Pyrrolidinemethanol, 1-(2-nitroethenyl)-α,α-diphenyl-, (2S)-[(2S)-1-[(E)-2-nitroethenyl]-2,3-diphenylpyrrolidin-2-yl]methanol(2S)-1-(2-nitroethenyl)-alpha,alpha-diphenyl-2-pyrrolidinemethanol
Database identifiers
- CAS
223714-08-7- PubChem CID
- 131851421
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Boiling point
- 503.7 · 503.7±38.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- pka
- 13.15 · 13.15±0.29(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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