Basic information
- CAS
4609-87-4- Standard SMILES
CCCCCCCCCC[N+](=O)[O-]- InChIKey
GOLOHAZKJYGKKQ-UHFFFAOYSA-N- Molecular formula
- C10H21NO2
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.15722891
Names & identifiers
- Preferred name
- 1-Nitrodecane
- IUPAC
- 1-nitrodecane
- English name
- 1-NITRODECANE
- Molecular formula
- C10H21NO2
- Molecular weight
- 187.28
Names & synonyms
1-nitrodecane4609-87-41-nitro-decaneDecane, 1-nitro-nitrodecane1-Nitro decaneNSC3657SCHEMBL1117344SCHEMBL1229014SCHEMBL7566951SCHEMBL10511342DTXSID00963500
Show more names
1-NITRODECANE 97%
GOLOHAZKJYGKKQ-UHFFFAOYSA-NNSC-3657MFCD00053437AKOS006273248SY266514
Database identifiers
- CAS
4609-87-4- PubChem CID
- 220647
- DTXSID
DTXSID00963500- Nikkaji
- J511.772K
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 272.04 °C · 272.04°C (estimate)
- Density
- 0.9085 · 0.9085 (estimate)
- refractive index
- 1.4337 · 1.4337
- pka
- 8.66 · 8.66±0.29(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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