Basic information
- CAS
89367-14-6- Standard SMILES
CCC(=O)CNCN=O- InChIKey
FKAGNGDVPDABRM-UHFFFAOYSA-N- Molecular formula
- C5H10N2O2
- Average molar mass
- 130.15 g/mol
- Monoisotopic mass
- 130.07422757
Names & identifiers
- Preferred name
- N-nitrosomethyl(2-oxobutyl)amine
- IUPAC
- 1-(nitrosomethylamino)butan-2-one
- English name
- N-nitrosomethyl(2-oxobutyl)amine
- Molecular weight
- 0
Names & synonyms
N-Nitrosomethyl(2-oxobutyl)amine89367-14-6M-2-OB1-(Methylnitrosamino)-2-butanone2-Butanone, 1-(methylnitrosamino)-V3Y6Y1C92O2-Butanone, 1-((nitrosomethyl)amino)-DTXSID80237630RefChem:164014DTXCID30160121N-Nitrosomethyl-(2-oxobutyl)amine1-[(nitrosomethyl)amino]butan-2-one
Show more names
CCRIS 4691-(nitrosomethylamino)butan-2-oneUNII-V3Y6Y1C92O1-((NITROSOMETHYL)AMINO)-2-BUTANONEQ27291503
Database identifiers
- CAS
89367-14-6- PubChem CID
- 128951
- DTXSID
DTXSID80237630- UNII
- V3Y6Y1C92O
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 240.83 °C · 240.83°C (rough estimate)
- Density
- 1.2268 · 1.2268 (rough estimate)
- refractive index
- 1.4954 · 1.4954 (estimate)
- FDA UNII
- 3 Y6Y1C92O · V3Y6Y1C92O
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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