Basic information
- CAS
80710-16-3- Standard SMILES
CC(=O)N1CCCN(C)C1=N[N+](=O)[O-]- InChIKey
XXBBGTGLURDUIJ-UHFFFAOYSA-N- Molecular formula
- C7H12N4O3
- Average molar mass
- 200.2 g/mol
- Monoisotopic mass
- 200.09094026
Names & identifiers
- Preferred name
- N-(1-acetyl-3-methyl-1,3-diazinan-2-ylidene)nitramide
- IUPAC
- N-(1-acetyl-3-methyl-1,3-diazinan-2-ylidene)nitramide
Names & synonyms
80710-16-3NSC-375298GXE97CMK6VN-(1-acetyl-3-methyl-1,3-diazinan-2-ylidene)nitramideSCHEMBL11356661DTXSID2010014372(1H)-PYRIMIDINIMINE, 1-ACETYLTETRAHYDRO-3-METHYL-N-NITRO-
Database identifiers
- CAS
80710-16-3- PubChem CID
- 341808
- DTXSID
DTXSID201001437- UNII
- GXE97CMK6V
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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