Basic information
- CAS
61734-90-5- Standard SMILES
CCCCN(CC(=O)CC)N=O- InChIKey
PSHQOARTDNZNHE-UHFFFAOYSA-N- Molecular formula
- C8H16N2O2
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.12117776
Names & identifiers
- Preferred name
- N-butyl-N-(2-oxobutyl)nitrous amide
- IUPAC
- N-butyl-N-(2-oxobutyl)nitrous amide
- English name
- N-Butyl-N-(3-oxobutyl)nitrosamine
- Molecular formula
- C8H16N2O2
- Molecular weight
- 172.23
Names & synonyms
3-BUTANONE, 4-(BUTYLNITROSAMINO)-N-Butyl-N-(2-oxobutyl)nitrosamine61734-90-5N-butyl-N-(2-oxobutyl)nitrous amideBRN 2246430N-Nitroso-N-(3-oxobutyl)butylamineDTXSID10210734AKOS00627842674778-69-174778-88-44-(Butylnitrosoamino)-3-butanoneN-Butyl-N-(3-oxobutyl)nitrosamine
Show more names
2-Butanone, 1-(butylnitrosoamino)-
Database identifiers
- CAS
61734-90-5- PubChem CID
- 43769
- DTXSID
DTXSID10210734- Nikkaji
- J70.073H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 302.55 °C · 302.55°C (rough estimate)
- Density
- 1.1083 · 1.1083 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- pka
- -6.914 · -6.914±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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