Octyl nitrite
Basic information
- CAS
629-46-9- Standard SMILES
CCCCCCCCON=O- InChIKey
QPHJACNABSHDHC-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Names & identifiers
- Preferred name
- Octyl nitrite
- IUPAC
- octyl nitrite
Names & synonyms
OCTYL NITRITENitrous acid, octyl ester1-octyl nitriteUNII-2QM6EQS1YF2QM6EQS1YFN-OCTYL NITRITEEINECS 211-092-9DTXSID3060875RefChem:167889DTXCID8043577211-092-9InChI=1/C8H17NO2/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H
Show more names
629-46-9SCHEMBL294422QPHJACNABSHDHC-UHFFFAOYSA-NAKOS006287590NS00035229Q27255485
Database identifiers
- CAS
629-46-9- PubChem CID
- 12387
- DTXSID
DTXSID3060875- UNII
- 2QM6EQS1YF
- EC Number
- 211-092-9
- Nikkaji
- J96.522G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 86.2
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNitrous acid, octyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…