Basic information
- CAS
14714-89-7- Standard SMILES
CC(C)=CCC/C(C)=C/CNc1ncnc2nc[nH]c12- InChIKey
IWEPCTONZDTXAT-KPKJPENVSA-N- Molecular formula
- C15H21N5
- Average molar mass
- 271.36 g/mol
- Monoisotopic mass
- 271.17969569
Names & identifiers
- Preferred name
- Geranylaminopurine
- IUPAC
- N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7H-purin-6-amine
- English name
- N6-[(E)-3,7-Dimethyl-2,6-octadienyl]adenine
- Molecular formula
- C15H21N5
- Molecular weight
- 271.36
Names & synonyms
Geranylaminopurine6-Geranylaminopurine14714-89-7Adenine, N-(3,7-dimethyl-2,6-octadienyl)-, (E)-DTXSID004187621H-Purin-6-amine, N-(3,7-dimethyl-2,6-octadienyl)-, (E)-RefChem:142981DTXCID00369609IWEPCTONZDTXAT-KPKJPENVSA-NAdenine,7-dimethyl-2,6-octadienyl)-, (E)-1H-Purin-6-amine,7-dimethyl-2,6-octadienyl)-, (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7H-purin-6-amine
Show more names
1H-Purin-6-amine, N-(3,7-dimethyl-2,6-octadienyl)-, (E)- (9CI)
N6-[(E)-3,7-Dimethyl-2,6-octadienyl]adenineNSC145048NSC197210NSC-145048NSC-197210N-[(2E)-3,7-Dimethyl-2,6-octadienyl]-9H-purin-6-amine #N-[(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]-7H-PURIN-6-AMINE
Database identifiers
- CAS
14714-89-7- PubChem CID
- 5375643
- DTXSID
DTXSID00418762- Nikkaji
- J108.816E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 147 · 147-151 °C
- Boiling point
- 406.8 · 406.8±55.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 9.27 · 9.27±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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