Basic information
- CAS
21314-05-6- Standard SMILES
Nc1ncnc2c1ncn2-c1cccc([N+](=O)[O-])c1- InChIKey
OETJYVAQRPLYIS-UHFFFAOYSA-N- Molecular formula
- C11H8N6O2
- Average molar mass
- 256.22 g/mol
- Monoisotopic mass
- 256.07087352
Names & identifiers
- Preferred name
- 9-(3-Nitrophenyl)-9h-purin-6-amine
- IUPAC
- 9-(3-nitrophenyl)purin-6-amine
Names & synonyms
9-(3-nitrophenyl)-9h-purin-6-amine5356-52-59-(p-Nitrophenyl)adenineCCRIS 5372N(sup 9)-(p-Nitrophenyl)adenineBRN 29966269H-Purin-6-amine, 9-(4-nitrophenyl)-NSC 2112555-26-16-00149 (Beilstein Handbook Reference)
Database identifiers
- CAS
21314-05-6- PubChem CID
- 99321
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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