2-Methylbutyl nitrite
Basic information
- CAS
1653-56-1- Standard SMILES
CCC(C)CON=O- InChIKey
SPPJRKXICASMOA-UHFFFAOYSA-N- Molecular formula
- C5H11NO2
- Average molar mass
- 117.15 g/mol
- Monoisotopic mass
- 117.07897859
Names & identifiers
- Preferred name
- 2-Methylbutyl nitrite
- IUPAC
- 2-methylbutyl nitrite
Names & synonyms
2-methylbutyl nitriteOQA58S77U1nitrous acid, 2-methylbutyl esterRefChem:476004832-236-2Isopentenyl nitrite2-Methyl-1-butanol nitriteUNII-OQA58S77U11653-56-1Amyl nitrite IISCHEMBL2015595DTXSID70274074
Show more names
Q27285784
Database identifiers
- CAS
1653-56-1- PubChem CID
- 24688
- DTXSID
DTXSID70274074- UNII
- OQA58S77U1
- EC Number
- 832-236-2
- Nikkaji
- J3.744.812E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.4
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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