N6-Benzoyladenine , ≥98.0%(HPLC) , 4005-49-6

Synonym(s):
n6-benzoyl adenosine

CAS NO.：4005-49-6

Empirical Formula: C12H9N5O

Molecular Weight: 239.23

MDL number: MFCD00037927

EINECS: 629-048-6

PRODUCT Properties

• Melting point: 242-244°C
• Density: 1.494 g/cm3
• storage temp.: 2-8°C
• Water Solubility: Insoluble in water
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: powder to crystal
• pka: 11.98±0.20(Predicted)
• color: White to Almost white
• BRN: 20585
• InChI: InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18)
• InChIKey: QQJXZVKXNSFHRI-UHFFFAOYSA-N
• SMILES: C(NC1=C2C(=NC=N1)NC=N2)(=O)C1=CC=CC=C1
• CAS DataBase Reference: 4005-49-6(CAS DataBase Reference)

Description and Uses

N6-Benzoyladenine is used in the organic synthesis of adenine derivative molecules such as bicyclic adenine nucleoside via a condensation reaction between L-threo-pentofuranose derivative 1 and 6-N-benzoyladenine and to produce oxy-peptide nucleic acids.

Safety

• Symbol(GHS): GHS07,GHS08
• Signal word: Warning
• Hazard statements: H302-H317-H361d
• Precautionary statements: P202-P261-P280-P301+P312-P302+P352-P308+P313
• Hazard Codes: Xn,Xi
• Risk Statements: 22-43
• Safety Statements: 36/37
• WGK Germany: 3
• Hazard Note: Irritant
• HS Code: 29335990