8-benzyl-7H-purin-6-amine

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Basic information

CAS: 30466-97-8
Standard SMILES: Nc1ncnc2nc(Cc3ccccc3)[nH]c12
InChIKey: URMRNGHYOQZDNU-UHFFFAOYSA-N
Molecular formula: C12H11N5
Average molar mass: 225.25 g/mol
Monoisotopic mass: 225.10144537

Names & identifiers

Preferred name: 8-benzyl-7H-purin-6-amine
IUPAC: 8-benzyl-7H-purin-6-amine

Names & synonyms

8-benzyl-7H-purin-6-amine30466-97-8DTXSID00391389RefChem:311792DTXCID003422508-benzyladenineSCHEMBL870860SCHEMBL870861SCHEMBL3731611NSC211035NSC-211035

Database identifiers

CAS: 30466-97-8
PubChem CID: 3316352
DTXSID: DTXSID00391389

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 80.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 253

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Compound notes

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