9-(4-nitro-phenyl)-9H-purin-6-ylamine

HCID 309093

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

Related reactions

4 records

Compound notes

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