9-(4-Chlorobutyl)-9h-purin-6-amine
Basic information
- CAS
69293-19-2- Standard SMILES
Nc1ncnc2c1ncn2CCCCCl- InChIKey
JOSMPXYVHRJDAU-UHFFFAOYSA-N- Molecular formula
- C9H12ClN5
- Average molar mass
- 225.68 g/mol
- Monoisotopic mass
- 225.0781231
Names & identifiers
- Preferred name
- 9-(4-Chlorobutyl)-9h-purin-6-amine
- IUPAC
- 9-(4-chlorobutyl)purin-6-amine
Names & synonyms
9-(4-chlorobutyl)-9h-purin-6-amine69293-19-2NSC145078CHEMBL135765SCHEMBL20445820DTXSID90301639NSC-145078
Database identifiers
- CAS
69293-19-2- PubChem CID
- 286592
- DTXSID
DTXSID90301639- ChEMBL
CHEMBL135765
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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