Basic information
- CAS
7501-88-4- Standard SMILES
CCCC(CCC(C)=NNC(N)=O)[N+](=O)[O-]- InChIKey
XWQLHAHPXYWCBK-UHFFFAOYSA-N- Molecular formula
- C9H18N4O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.13789045
Names & identifiers
- Preferred name
- 2-(5-Nitrooctan-2-ylidene)hydrazine-1-carboximidic acid
- IUPAC
- (5-nitrooctan-2-ylideneamino)urea
Names & synonyms
DTXSID609965162-(5-Nitrooctan-2-ylidene)hydrazine-1-carboximidic acid
Database identifiers
- CAS
7501-88-4- PubChem CID
- 345480
- DTXSID
DTXSID60996516
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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