N-Nitrosobis(2-oxobutyl)amine
Basic information
- CAS
77698-19-2- Standard SMILES
CCC(=O)CN(CC(=O)CC)N=O- InChIKey
QSZKSGSXMHZCEF-UHFFFAOYSA-N- Molecular formula
- C8H14N2O3
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.10044231
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Nitrosobis(2-oxobutyl)amine
- IUPAC
- N,N-bis(2-oxobutyl)nitrous amide
- English name
- N,N-bis(2-oxobutyl)nitrous amide
- Molecular formula
- C8H14N2O3
- Molecular weight
- 0
Names & synonyms
N-Nitrosobis(2-oxobutyl)amine77698-19-22-BUTANONE, 1,1'-(NITROSOIMINO)BIS-DTXSID80228321N-BOBRefChem:163980DTXCID00150812Bis(2-oxobutyl)nitrosamineN,N-bis(2-oxobutyl)nitrous amideCCRIS 3215
Database identifiers
- CAS
77698-19-2- PubChem CID
- 53725
- DTXSID
DTXSID80228321- Nikkaji
- J65.734D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 320.69 °C · 320.69°C (rough estimate)
- Density
- 1.2177 · 1.2177 (rough estimate)
- refractive index
- 1.42 · 1.4200 (estimate)
- Toxicity
- 5 mg/plate · mma-sat 5 mg/plate JJCREP 77,107,86
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mma-sat 5 mg/plate JJCREP 77,107,86
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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