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Home > Encyclopedia > N-(5H-Purin-6-yl)benzamide

N-(5H-Purin-6-yl)benzamide

N-(5H-Purin-6-yl)benzamide structure

N-(5H-Purin-6-yl)benzamide 

structure
  • CAS No:

    4005-49-6

  • Formula:

    C12H9N5O

  • Chemical Name:

    N-(5H-Purin-6-yl)benzamide

  • Synonyms:

    N-BZ-ADE;N-BENZOYLADENINE;N6-BENZOYLADENINE;6-BENZAMIDOPURINE;N4-Benzoyladenine;N-Benzolaminopurine;6-Benzoylaminopurin;N-BENZOYLAMINOPURINE;6-BENZOYLAMINOPURINE;N6-BENZOYLAMINOPURINE

  • Categories:

    Biochemical Engineering  >  Nucleoside Drugs

Description

White solid


6-Benzamidopurine is a member of purines.

N-(5H-Purin-6-yl)benzamide Basic Attributes

239.23

239.080704

20585

2017-001-1

7BQB2WI1II

98641

DTXSID90193112

2933990090

Characteristics

83.6

1.3

White crystal

1.5±0.1 g/cm3

242-244°C

443.7°C at 760 mmHg

222.2±23.2 °C

1.781

2-8°C

Safety Information

NONH for all modes of transport

3

22-43

36/37

Xn,Xi

Irritant

P280

H302-H317

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

N6-benzoyladenine

N-(5H-Purin-6-yl)benzamide Use and Manufacturing

It 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.

Computed Properties

Molecular Weight:239.23
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:239.08070993
Monoisotopic Mass:239.08070993
Topological Polar Surface Area:83.6
Heavy Atom Count:18
Complexity:305
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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