Basic information
- CAS
23142-12-3- Standard SMILES
CCCn1cnc2nc[nH]c2c1=N- InChIKey
VIANEFSGLRJBCS-UHFFFAOYSA-N- Molecular formula
- C8H11N5
- Average molar mass
- 177.21 g/mol
- Monoisotopic mass
- 177.10144537
Names & identifiers
- Preferred name
- 1-Propyl-1H-purin-6-amine
- IUPAC
- 1-propyl-7H-purin-6-imine
Names & synonyms
1-Propyl-1H-purin-6-amine23142-12-3DTXSID40780935
Database identifiers
- CAS
23142-12-3- PubChem CID
- 136239708
- DTXSID
DTXSID40780935- Nikkaji
- J921.743F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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