2-Methyl-2-nitrosopropane
Basic information
- CAS
6841-96-9- Standard SMILES
CC(C)(C)N=O- InChIKey
LUQZKEZPFQRRRK-UHFFFAOYSA-N- Molecular formula
- C4H9NO
- Average molar mass
- 87.12 g/mol
- Monoisotopic mass
- 87.06841391
Names & identifiers
- Preferred name
- 2-Methyl-2-nitrosopropane
- IUPAC
- 2-methyl-2-nitrosopropane
- English name
- tert-nitrosobutane
- Molecular formula
- C4H9NO
- Molecular weight
- 87.12
Names & synonyms
2-Methyl-2-nitrosopropanetert-Nitrosobutane917-95-3Nitroso-tert-butanePropane, 2-methyl-2-nitroso-2-MNPJGX6N17V2UNSC-150348DTXSID80878749RefChem:910040DTXCID7010167882-methyl-2-nitroso-propane
Show more names
Nitrosoisobutane1,1-Dimethyl-1-nitrosoethane
UNII-JGX6N17V2UNSC 1503482-NITROSO-2-METHYLPROPANEtert-C4H9NOPropane, 2-methyl-2-nitroso-, dimer2-NITROSOISOBUTANETRIMETHYLNITROSOMETHANESCHEMBL819257
Database identifiers
- CAS
6841-96-9、917-95-3- PubChem CID
- 23272
- DTXSID
DTXSID80878749- UNII
- JGX6N17V2U
- Nikkaji
- J7.168D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 53.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP0.91
Physicochemical properties
- Melting point
- 29 °C · 29 °C
- Boiling point
- 50 °C · 50 °C
- Density
- 0.86 · 0.86±0.1 g/cm3(Predicted)
- FDA UNII
- 6 N17V2U · JGX6N17V2U
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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