6-Chloro-9-undecyl-9H-purine
Basic information
- CAS
68180-16-5- Standard SMILES
CCCCCCCCCCCn1cnc2c(Cl)ncnc21- InChIKey
QBUJJMULVCROGG-UHFFFAOYSA-N- Molecular formula
- C16H25ClN4
- Average molar mass
- 308.8 g/mol
- Monoisotopic mass
- 308.1767745
Names & identifiers
- Preferred name
- 6-Chloro-9-undecyl-9H-purine
- IUPAC
- 6-chloro-9-undecylpurine
Names & synonyms
68180-16-56-Chloro-9-undecyl-9H-purineNSC2851216-chloro-9-undecyl-purineDTXSID40314532NSC-285121DS-005878
Database identifiers
- CAS
68180-16-5- PubChem CID
- 323595
- DTXSID
DTXSID40314532
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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