Basic information
- CAS
2050-78-4- Standard SMILES
CCCCCCCCCCO[N+](=O)[O-]- InChIKey
UEFBRXQBUTYIJI-UHFFFAOYSA-N- Molecular formula
- C10H21NO3
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.15214353
Names & identifiers
- Preferred name
- Nitric acid, decyl ester
- IUPAC
- decyl nitrate
- English name
- Nitric acid decyl ester
- Molecular formula
- C10H21NO3
- Molecular weight
- 203.28
Names & synonyms
Decyl nitrate2050-78-4NITRIC ACID, DECYL ESTERDTXSID00174492RefChem:854246DTXCID5096983Nitric acid decyl estern-Decyl nitrateDecyl nitrate #SCHEMBL324700UEFBRXQBUTYIJI-UHFFFAOYSA-NAKOS040767533
Database identifiers
- CAS
2050-78-4- PubChem CID
- 74909
- DTXSID
DTXSID00174492- Nikkaji
- J101.603B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrates and Nitrites
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 251.59 °C · 251.59°C (estimate)
- Density
- 0.951 · 0.9510
- refractive index
- 1.4289 · 1.4289 (estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Amyl nitrate.
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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