Basic information
- CAS
91561-57-8- Standard SMILES
CCCCCCCn1cnc2c(Cl)ncnc21- InChIKey
GSOPKHKULIWGRY-UHFFFAOYSA-N- Molecular formula
- C12H17ClN4
- Average molar mass
- 252.74 g/mol
- Monoisotopic mass
- 252.1141743
Names & identifiers
- Preferred name
- 6-Chloro-9-heptylpurine
- IUPAC
- 6-chloro-9-heptylpurine
Names & synonyms
91561-57-86-chloro-9-heptylpurineNSC4074246-Chloro-9-heptyl-9H-purineDTXSID20324659NSC-407424
Database identifiers
- CAS
91561-57-8- PubChem CID
- 348241
- DTXSID
DTXSID20324659
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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