Butyl(2-oxopropyl)nitrosamine
Basic information
- CAS
51938-15-9- Standard SMILES
CCCCN(CC(C)=O)N=O- InChIKey
FPXGNLJKZKCTNE-UHFFFAOYSA-N- Molecular formula
- C7H14N2O2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.10552769
Overview
structure
Names & identifiers
- Preferred name
- Butyl(2-oxopropyl)nitrosamine
- IUPAC
- N-butyl-N-(2-oxopropyl)nitrous amide
- English name
- CCRIS 845
- Molecular formula
- C7H14N2O2
- Molecular weight
- 158.2
Names & synonyms
BOPN1-(Butylnitrosoamino)-2-propanone51938-15-9Butyl(2-oxopropyl)nitrosamineN-Butyl-N-(2-oxopropyl)nitrosamine2-Propanone, 1-(butylnitrosamino)-4PCU8Y4ZV3DTXSID60199904RefChem:122298DTXCID80122395Butyl(2-oxypropyl)nitrosamineN-butyl-N-(2-oxopropyl)nitrous amide
Show more names
2-Propanone, 1-(butylnitrosoamino)-
CCRIS 845Butyl(2-oxopropyl)nitrosoamineN-Nitrosobutyl-2-oxopropylamineN-Nitroso-1-butylamino-2-propanoneN-Nitroso-(2-oxopropyl)-n-butylamineBRN 2242309UNII-4PCU8Y4ZV3CHEMBL163665
Database identifiers
- CAS
51938-15-9- PubChem CID
- 91647
- DTXSID
DTXSID60199904- ChEMBL
CHEMBL163665- UNII
- 4PCU8Y4ZV3
- Nikkaji
- J153.520J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 283.28 °C · 283.28°C (rough estimate)
- Density
- 1.1414 · 1.1414 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 PCU8Y4ZV3 · 4PCU8Y4ZV3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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