Basic information
- CAS
21314-05-6- Standard SMILES
Nc1ncnc2c1ncn2-c1ccc([N+](=O)[O-])cc1- InChIKey
CUQVCKJPCJQAMP-UHFFFAOYSA-N- Molecular formula
- C11H8N6O2
- Average molar mass
- 256.22 g/mol
- Monoisotopic mass
- 256.0708735
Names & identifiers
- Preferred name
- 9-(4-nitro-phenyl)-9H-purin-6-ylamine
- IUPAC
- 9-(4-nitrophenyl)purin-6-amine
Names & synonyms
21314-05-69-(4-Nitrophenyl)-9H-purin-6-amine9-(PARA-NITROPHENYL)ADENINE9-(4-nitro-phenyl)-9H-purin-6-ylamine9-(4-nitrophenyl)purin-6-amineSCHEMBL5118469DTXSID00943827CUQVCKJPCJQAMP-UHFFFAOYSA-NNSC211255NSC-211255[9-(4-nitrophenyl)-9H-purin-6-yl]amine
Database identifiers
- CAS
21314-05-6- PubChem CID
- 309093
- DTXSID
DTXSID00943827
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
- 341
Related reactions
4 records
Compound notes
Loading…