1-Nitropentan-2-ol
Basic information
- CAS
2224-37-5- Standard SMILES
CCCC(O)C[N+](=O)[O-]- InChIKey
ACNMOTQCLBFDMQ-UHFFFAOYSA-N- Molecular formula
- C5H11NO3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.07389321
Names & identifiers
- Preferred name
- 1-Nitropentan-2-ol
- IUPAC
- 1-nitropentan-2-ol
- English name
- 1-nitropentan-2-ol
- Molecular formula
- C5H11NO3
- Molecular weight
- 0
Names & synonyms
2224-37-51-nitropentan-2-ol1-nitro-2-pentanol2-Pentanol, 1-nitro-1-nitropentanol-2NSC17681SCHEMBL2460939DTXSID10280614NSC 17681NSC-17681DS-004331
Database identifiers
- CAS
2224-37-5- PubChem CID
- 226820
- DTXSID
DTXSID10280614- Nikkaji
- J836.620I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.7
Physicochemical properties
- Boiling point
- 270.66 °C · 270.66°C (rough estimate)
- Density
- 1.0847 · 1.0847
- refractive index
- 1.4493 · 1.4493
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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