Basic information
- CAS
73972-55-1- Standard SMILES
Cc1ccccc1Oc1ncnc2nc[nH]c12- InChIKey
LVYGUKJPQKOPQG-UHFFFAOYSA-N- Molecular formula
- C12H10N4O
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08546096
Names & identifiers
- Preferred name
- Purine, 6-(o-tolyloxy)-
- IUPAC
- 6-(2-methylphenoxy)-7H-purine
- English name
- 6-(o-Tolyloxy)-1H-purine
- Molecular formula
- C12H10N4O
- Molecular weight
- 226.23
Names & synonyms
Purine, 6-(o-tolyloxy)-6-(o-Tolyloxy)purine1H-Purine, 6-(2-methylphenoxy)-NSC 29926DTXSID70224716RefChem:375832DTXCID001472071H-Purine, 6-(2-methylphenoxy)-(9CI)73972-55-1NSC-299266-(2-methylphenoxy)-7H-purine6-(2-methylphenoxy)purine
Show more names
6-(o-Tolyloxy)-1H-purine
6B7TF9EP8G6-(2-Methylphenoxy)-9H-purineNSC299269H-Purine, 6-(2-methylphenoxy)-AKOS002203968WLN: T56 BM DN FN HNJ IOR B1ST50139529
Database identifiers
- CAS
73972-55-1- PubChem CID
- 95690
- DTXSID
DTXSID70224716- UNII
- 6B7TF9EP8G
- Nikkaji
- J113.408F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…