8-Vinyladenine
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Basic information
- CAS
942950-89-2- Standard SMILES
C=Cc1nc2c(N)ncnc2[nH]1- InChIKey
JPEPBVPTZSCEQV-UHFFFAOYSA-N- Molecular formula
- C7H7N5
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.07014524
Names & identifiers
- Preferred name
- 8-Vinyladenine
- IUPAC
- 8-ethenyl-7H-purin-6-amine
- English name
- 9H-Purin-6-amine, 8-ethenyl-
- Molecular formula
- C7H7N5
- Molecular weight
- 161.16
Names & synonyms
8-vinyladenineSCHEMBL4424909SCHEMBL170602198-ethenyl-7H-purin-6-amine9H-Purin-6-amine, 8-ethenyl-
Database identifiers
- CAS
942950-89-2- PubChem CID
- 45120587
- Nikkaji
- J2.479.765A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 457.8 · 457.8±48.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- pka
- 9.49 · 9.49±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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