Basic information
- CAS
10524-31-9- Standard SMILES
CC(CCC(N)=O)(CCC(N)=O)[N+](=O)[O-]- InChIKey
PPVZREVTDIGOEZ-UHFFFAOYSA-N- Molecular formula
- C8H15N3O4
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.10625597
Names & identifiers
- Preferred name
- 4-Methyl-4-nitroheptanediamide
- IUPAC
- 4-methyl-4-nitroheptanediamide
Names & synonyms
10524-31-9NSC6804864-methyl-4-nitroheptanediamideHeptanediamide, 4-methyl-4-nitro-NSC1168114-methyl-4-nitro-heptanediamideSCHEMBL16378043DTXSID30297608NSC-116811NSC-6804864-(Hydroxy(oxido)amino)-4-methylheptanediamide
Database identifiers
- CAS
10524-31-9- PubChem CID
- 272437
- DTXSID
DTXSID30297608
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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