8-(Trifluoromethyl)-9H-purin-2-amine
Basic information
- CAS
10179-89-2- Standard SMILES
Nc1ncc2[nH]c(C(F)(F)F)nc2n1- InChIKey
CILXVNCPCQCZEL-UHFFFAOYSA-N- Molecular formula
- C6H4F3N5
- Average molar mass
- 203.12 g/mol
- Monoisotopic mass
- 203.04187964
Names & identifiers
- Preferred name
- 8-(Trifluoromethyl)-9H-purin-2-amine
- IUPAC
- 8-(trifluoromethyl)-7H-purin-2-amine
- English name
- 8-(TrifluoroMethyl)-9H-purin-2-aMine
- Molecular formula
- C6H4F3N5
- Molecular weight
- 203.12
Names & synonyms
8-(Trifluoromethyl)-9H-purin-2-amine10179-89-28-(trifluoromethyl)-7H-purin-2-amineNSC528624SCHEMBL29283717SCHEMBL29283718DTXSID30326462purine, 2-amino-8-trifluoromethyl-AKOS016007037NSC-528624AC-27245DB-350864
Show more names
9H-Purin-2-aMine, 8-(trifluoroMethyl)-
Database identifiers
- CAS
10179-89-2- PubChem CID
- 352873
- DTXSID
DTXSID30326462- Nikkaji
- J457.117G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 251.7 · 251.7±50.0 °C(Predicted)
- Density
- 1.99 · 1.99±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.76 · 4.76±0.20(Predicted)
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Related reactions
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Compound notes
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