9-Pentylpurin-6-amine
Basic information
- CAS
2002-36-0- Standard SMILES
CCCCCn1cnc2c(N)ncnc21- InChIKey
UHFFXCBWXZHMML-UHFFFAOYSA-N- Molecular formula
- C10H15N5
- Average molar mass
- 205.26 g/mol
- Monoisotopic mass
- 205.1327455
Names & identifiers
- Preferred name
- 9-Pentylpurin-6-amine
- IUPAC
- 9-pentylpurin-6-amine
Names & synonyms
2002-36-09-pentylpurin-6-amine9-pentyl-9h-purin-6-amineNSC60637SCHEMBL4551803DTXSID00289398NSC-60637AKOS012922848Z1139808721
Database identifiers
- CAS
2002-36-0- PubChem CID
- 246969
- DTXSID
DTXSID00289398- Nikkaji
- J1.605.618I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
LogP1.79
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…