Basic information
- CAS
102366-79-0- Standard SMILES
c1ccc(CNc2ncnc3c2NCN3)cc1- InChIKey
VCFTZBXEGUKNCA-UHFFFAOYSA-N- Molecular formula
- C12H13N5
- Average molar mass
- 227.27 g/mol
- Monoisotopic mass
- 227.11709544
Names & identifiers
- Preferred name
- Adenine, 7,8-dihydro-N-benzyl-
- IUPAC
- N-benzyl-8,9-dihydro-7H-purin-6-amine
- English name
- N-benzyl-8,9-dihydro-7H-purin-6-amine
- Molecular formula
- C12H13N5
- Molecular weight
- 0
Names & synonyms
7,8-Dihydro-N-benzyladenineADENINE, 7,8-DIHYDRO-N-BENZYL-102366-79-0DTXSID10144944RefChem:317245DTXCID9067435N-benzyl-8,9-dihydro-7H-purin-6-amineN-(Phenylmethyl)-8,9-dihydro-7H-purin-6-amine
Database identifiers
- CAS
102366-79-0- PubChem CID
- 59308
- DTXSID
DTXSID10144944- Nikkaji
- J86.650D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 358.98 °C · 358.98°C (rough estimate)
- Density
- 1.2252 · 1.2252 (rough estimate)
- refractive index
- 1.661 · 1.6610 (estimate)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…