alpha-Acetoxy-N-nitrosopiperidine
Basic information
- CAS
53198-44-0- Standard SMILES
CC(=O)OC1CCCCN1N=O- InChIKey
NGQASKUNCWVFSF-UHFFFAOYSA-N- Molecular formula
- C7H12N2O3
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.08479225
Overview
structure given in first source; forms adduct with deoxyguanosine
Names & identifiers
- Preferred name
- alpha-Acetoxy-N-nitrosopiperidine
- IUPAC
- (1-nitrosopiperidin-2-yl) acetate
- English name
- alpha-acetoxy-N-nitrosopiperidine
- Molecular formula
- C7H12N2O3
- Molecular weight
- 172.18
Names & synonyms
alpha-Acetoxynpip53198-44-0alpha-Acetoxy-N-nitrosopiperidineRefChem:1110701-nitrosopiperidin-2-yl acetateDTXSID80967708alpha-Acetoxy-N-nitroso-piperidine1-Nitroso-2-piperidinol acetate (ester)2-Piperidinol, 1-nitroso-, acetate (ester)2-Piperidinol, 1-nitroso-, 2-acetate
Database identifiers
- CAS
53198-44-0- PubChem CID
- 115173
- DTXSID
DTXSID80967708- Nikkaji
- J527.039A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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