Basic information
- CAS
122365-35-9- Standard SMILES
N=c1c2ncn(C(c3ccccc3)c3ccccc3)c2ncn1O- InChIKey
KGXVSELUQPYRLW-UHFFFAOYSA-N- Molecular formula
- C18H15N5O
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.12766012
Names & identifiers
- Preferred name
- 9-Benzhydryladenine 1-oxide
- IUPAC
- 9-benzhydryl-1-hydroxypurin-6-imine
- English name
- 9-benzhydryl-1-hydroxy-purin-6-imine
- Molecular formula
- C18H15N5O
- Molecular weight
- 0
Names & synonyms
9-Benzhydryladenine 1-oxide122365-35-99-Benzhydryladenine-1-N-oxideCCRIS 69129-benzhydryl-1-hydroxypurin-6-imine9-BENZHYDRYL-1-HYDROXY-PURIN-6-IMINE6MEG56F6UCDTXSID709241439H-Purin-6-amine, 9-(diphenylmethyl)-, 1-oxide9-(Diphenylmethyl)-6-imino-6,9-dihydro-1H-purin-1-ol
Database identifiers
- CAS
122365-35-9- PubChem CID
- 147704
- DTXSID
DTXSID70924143- UNII
- 6MEG56F6UC
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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