Basic information
- CAS
52731-39-2- Standard SMILES
CCCCN(CCCCOC(C)=O)N=O- InChIKey
VPVMXPNDQVJRRA-UHFFFAOYSA-N- Molecular formula
- C10H20N2O3
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.1473925
Names & identifiers
- Preferred name
- 4-[Butyl(nitroso)amino]butyl acetate
- IUPAC
- 4-[butyl(nitroso)amino]butyl acetate
Names & synonyms
ACETIC ACID, 4-(BUTYLNITROSAMINO)BUTYL ESTER52731-39-24-[butyl(nitroso)amino]butyl acetate4-(Butylnitrosamino)butyl acetateN-Butyl-N-(4-acetoxybutyl)nitrosamineDTXSID70200717
Database identifiers
- CAS
52731-39-2- PubChem CID
- 40512
- DTXSID
DTXSID70200717- Nikkaji
- J85.206F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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