9-Methyl-9H-purin-6-amine

Basic Information

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CAS Number

700-00-5

Molecular Formula

C6H7N5

Molecular Weight

149.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

300-305 °C

Boiling Point

385.9°C at 760 mmHg

Density

1.1798 (rough estimate)

Refractive Index

1.8070 (estimate)

SMILES

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CN1C=NC2=C(N=CN=C21)N

InChI

InChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)

InChIKey

WRXCXOUDSPTXNX-UHFFFAOYSA-N

LogP

-0.22413000000000033

Topological Polar Surface Area

70.35 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

150

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

A9254
AKOS003382262
N9-Methyladenine
9-methyl-9H-purin-6-ylamine
DTXSID10220257
BCP09290
AC-32458
9-Methyladenine
N-0838
F13973
9-METHYL-9H-PURIN-6-AMINE
9-Methyladenine, 97%
MFCD00047232
9-methyl adenine
Q27120398
9-Methyl-9H-adenine
WRXCXOUDSPTXNX-UHFFFAOYSA-N
CS-0128711
Adenine, 9-methyl-
ST 088036
ADZ
9-methylpurin-6-amine
FT-0671433
6-Amino-9-methylpurine
NSC 7843
N 838
CCRIS 6905
CCG-206385
NSC7843
FT-0656692
AB-323/25048537

MDL Number

MFCD00047232

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 9-Methyl-9H-purin-6-amine (CAS: 700-00-5)?

9-Methyl-9H-purin-6-amine (CAS: 700-00-5) is a white crystalline solid with a molecular formula of C8H11N5. It has a molecular weight of approximately 187.21 g/mol. The compound is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is thermally stable under normal conditions and shows moderate reactivity in basic media, with limited reactivity in acidic conditions.

How is 9-Methyl-9H-purin-6-amine (CAS: 700-00-5) typically synthesized?

9-Methyl-9H-purin-6-amine can be synthesized via a multi-step reaction starting from 6-amino-9H-purine. The process involves amination of 6-amino-9H-purine with methylamine under basic conditions. The reaction is carried out in an aqueous solution with sodium hydroxide as a catalyst. The yield is typically around 80-90%, and the purity of the product can be improved by recrystallization.

What industries use 9-Methyl-9H-purin-6-amine (CAS: 700-00-5)?

9-Methyl-9H-purin-6-amine (CAS: 700-00-5) is used in the pharmaceutical industry as an intermediate in the synthesis of various purine derivatives, which are important in the treatment of diseases such as gout and cancer. It is also used in the polymer and sensor industries for the development of novel materials and sensing devices.

What precautions should be taken when handling 9-Methyl-9H-purin-6-amine (CAS: 700-00-5)?

When handling 9-Methyl-9H-purin-6-amine (CAS: 700-00-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be kept clean to avoid contamination. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.