Basic information
- CAS
4235-94-3- Standard SMILES
Nc1ncnc2c1ncn2C1CCCCC1- InChIKey
FRZBEYVOLNQETR-UHFFFAOYSA-N- Molecular formula
- C11H15N5
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.1327455
Overview
inhibitor of phosphatidylinositol 4-kinase; structure given in first source
Names & identifiers
- Preferred name
- 9-Cyclohexyl-9H-purin-6-amine
- IUPAC
- 9-cyclohexylpurin-6-amine
- English name
- 9-cyclohexyladenine
- Molecular formula
- C11H15N5
- Molecular weight
- 217.27
Names & synonyms
9-Cyclohexyladenine9-Cyclohexyl-9H-purin-6-amine4235-94-3NSC-19201KJ42775NZEDTXSID20195164SQ-22244RefChem:107815DTXCID301176559-cyclohexylpurin-6-amine9H-Purin-6-amine, 9-cyclohexyl-9-Cyclohexyl-9H-adenine
Show more names
9-Cyclohexyl-9H-purine-6-amine6-Amino-9-cyclohexyl-9H-purine
CHEMBL63783NSC 192016-Amino-9-cyclohexylpurineBRN 0220522SQ 22244Purine, 6-amino-9-cyclohexylSCHEMBL32456419-Cyclohexyl-9H-purin-6-ylamine
Database identifiers
- CAS
4235-94-3- PubChem CID
- 95121
- DTXSID
DTXSID20195164- ChEMBL
CHEMBL63783- UNII
- KJ42775NZE
- Nikkaji
- J308.105B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 199 · 199-200 °C(Solv: heptane (142-82-5))
- Boiling point
- 447.9 · 447.9±48.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 4.49 · 4.49±0.10(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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