N-nitroso(2-oxobutyl)(2-oxopropyl)amine
Basic information
- CAS
77698-20-5- Standard SMILES
CCC(=O)CN(CC(C)=O)N=O- InChIKey
PMENDGPEYXEHSF-UHFFFAOYSA-N- Molecular formula
- C7H12N2O3
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.08479225
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-nitroso(2-oxobutyl)(2-oxopropyl)amine
- IUPAC
- N-(2-oxobutyl)-N-(2-oxopropyl)nitrous amide
- English name
- N-nitroso(2-oxobutyl)(2-oxopropyl)amine
- Molecular formula
- C7H12N2O3
- Molecular weight
- 0
Names & synonyms
77698-20-5N-Nitroso(2-oxobutyl)(2-oxopropyl)amine2-Butanone, 1-(nitroso(2-oxopropyl)amino)-DTXSID40228322N-OBOBRefChem:163950DTXCID60150813N-(2-oxobutyl)-N-(2-oxopropyl)nitrous amide2-Butanone,1-[nitroso(2-oxopropyl)amino]-OBOB2-BUTANONE, 1-(N-ACETONYL-N-NITROSOAMINO)-SCHEMBL29579799
Show more names
AKOS006278695
Database identifiers
- CAS
77698-20-5- PubChem CID
- 53726
- DTXSID
DTXSID40228322- Nikkaji
- J65.725E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 302.49 °C · 302.49°C (rough estimate)
- Density
- 1.2677 · 1.2677 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- Toxicity
- 50 scu-ham: · LD50 scu-ham: 174 mg/kg CALEDQ 12,223,81
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
- LD50 scu-ham: 174 mg/kg CALEDQ 12,223,81
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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