Basic information
- CAS
34075-28-0- Standard SMILES
CC(C)C(C)(C)[N+](=O)[O-]- InChIKey
PKOVWKGRNZGQHY-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- 2,3-Dimethyl-2-nitrobutane
- IUPAC
- 2,3-dimethyl-2-nitrobutane
- English name
- 2,3-Dimethyl-2-nitrobutane
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
2,3-Dimethyl-2-nitrobutane34075-28-0Butane, 2,3-dimethyl-2-nitro-2,3-dimethyl-3-nitrobutaneSCHEMBL86613492,3-Dimethyl-2-nitrobutane #PKOVWKGRNZGQHY-UHFFFAOYSA-NDTXSID301350627AKOS015901178DB-260317
Database identifiers
- CAS
34075-28-0- PubChem CID
- 520671
- DTXSID
DTXSID301350627- Nikkaji
- J108.722C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 7 °C · 7°C
- Boiling point
- 173.5 °C · 173.5°C
- Density
- 0.9063 · 0.9063 (estimate)
- refractive index
- 1.4175 · 1.4175 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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