N2-Acetylguanine

Basic Information

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CAS Number

19962-37-9

Molecular Formula

C7H7N5O2

Molecular Weight

193.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

260 ºC

Boiling Point

329.37°C (rough estimate)

Refractive Index

1.8000 (estimate)

SMILES

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CC(=O)NC1=NC2=C(C(=O)N1)NC=N2

InChI

InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)

InChIKey

MXSMRDDXWJSGMC-UHFFFAOYSA-N

LogP

0.016899999999999638

Topological Polar Surface Area

103.79 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

313

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

N2-Acetylguanine
SY057260
CHEMBL1224659
N-(6-oxo-6,7-dihydro-3H-purin-2-yl)acetamide
AKOS015837987
SCHEMBL10582271
n-(6-hydroxy-9h-purin-2-yl)acetamide
EN300-104477
Q44
DTXSID90173757
acetamide, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-
AC-23935
MFCD00078201
W-201749
N-(6-oxo-6,9-dihydro-3H-purin-2-yl)acetamide
Acetamide, N-(2,7-dihydro-6-oxo-1H-purin-2-yl)-
N-(6-OXO-6,7-DIHYDRO-1H-PURIN-2-YL)ACETAMIDE
N-(6-HYDROXY-7H-PURIN-2-YL)ACETAMIDE
CCG-299931
N-(6-oxo-3,7-dihydropurin-2-yl)acetamide
AKOS015900671
A1248
N-(6-Oxo-6,9-dihydro-1H-purin-2-yl)acetamide
Acetamide, N-(6,7-dihydro-6-oxo-1H-purin-2-yl)-
N-Acetylguanine
AKOS006229894
AKOS017258537
2-Acetamido-6-hydroxypurine
N-(6-hydroxypurin-2-yl)acetamide
SCHEMBL219477
19962-37-9

MDL Number

MFCD00078201

Customs Code

2933990090

FAQ

What are the physical and chemical properties of N2-Acetylguanine (CAS: 19962-37-9)?

N2-Acetylguanine (CAS: 19962-37-9) is a crystalline compound with a molecular weight of approximately 198.18 g/mol. It has a solubility of about 25 mg/mL in water. Chemically, it is moderately reactive, particularly with bases and nucleophiles. It is stable under normal conditions but should be stored in a cool, dark place to avoid photodegradation.

How is N2-Acetylguanine (CAS: 19962-37-9) typically synthesized?

N2-Acetylguanine can be synthesized by acetylating guanine in an organic solvent such as dichloromethane using acetic anhydride as the acetylating agent. The reaction is typically catalyzed by an acid like sulfuric acid, and the product is isolated by recrystallization. The yield is generally around 70-80%. Special attention should be given to proper handling of acetic anhydride and sulfuric acid due to their hazardous nature.

What industries use N2-Acetylguanine (CAS: 19962-37-9)?

N2-Acetylguanine finds applications in the pharmaceutical industry as an intermediate in the synthesis of nucleoside drugs. It is also used in the chemical and biochemical research fields for studying DNA and RNA metabolism. Additionally, it has potential applications in the development of new materials and sensors.

What precautions should be taken when handling N2-Acetylguanine (CAS: 19962-37-9)?

When handling N2-Acetylguanine, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be handled in a well-ventilated area or under a fume hood to minimize exposure. Spills should be cleaned up carefully, and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.