3,7-Dinitro-9,10-dihydrophenanthren-2-amine
Basic information
- CAS
18264-97-6- Standard SMILES
Nc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1CC2- InChIKey
CPIKCNDCGKOEII-UHFFFAOYSA-N- Molecular formula
- C14H11N3O4
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.07495584
Names & identifiers
- Preferred name
- 3,7-Dinitro-9,10-dihydrophenanthren-2-amine
- IUPAC
- 3,7-dinitro-9,10-dihydrophenanthren-2-amine
- English name
- 9,10-Dihydro-3,7-dinitro-2-phenanthrenamine
- Molecular weight
- 0
Names & synonyms
3,7-dinitro-9,10-dihydrophenanthren-2-amine18264-97-6DTXSID20347727RefChem:272636DTXCID102987999,10-Dihydro-3,7-dinitro-2-phenanthrenamine2-Phenanthrylamine, 9,10-dihydro-3,7-dinitro-CPIKCNDCGKOEII-UHFFFAOYSA-N3,7-Dinitro-9,10-dihydro-2-phenanthrenamine #
Database identifiers
- CAS
18264-97-6- PubChem CID
- 625211
- DTXSID
DTXSID20347727- Nikkaji
- J109.909D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Comptox DTXSID
- 20347727 · DTXSID20347727
- HS Code
- 2921499090 · 2921499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921499090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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