Basic information
- CAS
108203-17-4- Standard SMILES
O=[N+]([O-])c1ccc(NC2CCCCCCC2)nc1- InChIKey
HCDCUCIGHWMYFX-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772686
Names & identifiers
- Preferred name
- 2-Pyridinamine, N-cyclooctyl-5-nitro-
- IUPAC
- N-cyclooctyl-5-nitropyridin-2-amine
Names & synonyms
2-Pyridinamine, N-cyclooctyl-5-nitro-N-cyclooctyl-5-nitropyridin-2-amineCOANP108203-17-42-cyclooctylamino-5-nitropyridineSCHEMBL1473102DTXSID70344387HCDCUCIGHWMYFX-UHFFFAOYSA-N2-(Cyclo-octylamino)-5-nitropyridineAKOS008858917N-Cyclooctyl-5-nitro-2-pyridinamine #
Database identifiers
- CAS
108203-17-4- PubChem CID
- 596455
- DTXSID
DTXSID70344387- Nikkaji
- J438.253F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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