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

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

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Description

White solid

6-Benzamidopurine is a member of purines.

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

Molecular Weight：

239.23

Exact Mass：

239.080704

BRN：

20585

EC Number：

2017-001-1

UNII：

7BQB2WI1II

NSC Number：

98641

DSSTox ID：

DTXSID90193112

HScode：

2933990090

Characteristics

PSA：

83.6

XLogP3：

1.3

Appearance：

White crystal

Density：

1.5±0.1 g/cm3

Melting Point：

242-244°C

Boiling Point：

443.7°C at 760 mmHg

Flash Point：

222.2±23.2 °C

Refractive Index：

1.781

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-43

safety instructions：

36/37

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P280

Hazard Statements：

H302-H317

GHS Classification：

|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

MeSH Entry Terms：

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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CAS No.: 4005-49-6

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

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

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

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