8-Azidoadenine

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Basic information

CAS: 79270-98-7
Standard SMILES: [N-]=[N+]=Nc1nc2ncnc(N)c2[nH]1
InChIKey: ZTWYAIASAJSBMA-UHFFFAOYSA-N
Molecular formula: C5H4N8
Average molar mass: 176.14 g/mol
Monoisotopic mass: 176.05589216

Overview

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Names & identifiers

Preferred name: 8-Azidoadenine
IUPAC: 8-azido-7H-purin-6-amine
English name: 8-azidoadenine
Molecular weight: 0

Names & synonyms

8-Azidoadenine79270-98-71H-Purin-6-amine, 8-azido-DTXSID40229596RefChem:106926DTXCID901520878-azido-7H-purin-6-amineSCHEMBL14389438SCHEMBL14793624SCHEMBL25289435

Database identifiers

CAS: 79270-98-7
PubChem CID: 3036161
DTXSID: DTXSID40229596

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 94.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 235

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Compound notes

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