Basic information
- CAS
75881-17-3- Standard SMILES
CC(=O)N1C(C)CN(N=O)CC1C- InChIKey
VRSAQOMEXLWLBL-UHFFFAOYSA-N- Molecular formula
- C8H15N3O2
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.11642673
Overview
structure given in first source; RN given refers to parent cpd without isomeric designation
Names & identifiers
- Preferred name
- 1-Nitroso-4-acetyl-3,5-dimethylpiperazine
- IUPAC
- 1-(2,6-dimethyl-4-nitrosopiperazin-1-yl)ethanone
- English name
- Piperazine,1-acetyl-2,6-dimethyl-4-nitroso-(9CI)
- Molecular formula
- C8H15N3O2
- Molecular weight
- 185.22
Names & synonyms
75881-17-31-Nitroso-4-acetyl-3,5-dimethylpiperazineRefChem:766111-NADMP1-(2,6-dimethyl-4-nitrosopiperazin-1-yl)ethanone1-Acetyl-2,6-dimethyl-4-nitrosopiperazinePiperazine, 1-acetyl-2,6-dimethyl-4-nitroso-CCRIS 13711-Acetyl-4-nitroso-2,6-dimethylpiperazine1-(2,6-dimethyl-4-nitrosopiperazin-1-yl)ethan-1-oneCHEMBL165365DTXSID20997266
Show more names
Piperazine,1-acetyl-2,6-dimethyl-4-nitroso-(9CI)Ethanone, 1-(2,6-dimethyl-4-nitroso-1-piperazinyl)-
AKOS0062770884-acetyl-3,5-dimethylnitrosopiperazineDB-288649
Database identifiers
- CAS
75881-17-3- PubChem CID
- 135652
- DTXSID
DTXSID20997266- ChEMBL
CHEMBL165365- Nikkaji
- J107.195E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 319.45 °C · 319.45°C (rough estimate)
- Density
- 1.1652 · 1.1652 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- -0.33 · -0.33±0.70(Predicted)
- FDA UNII
- 4 O80FML · CNL4O80FML
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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