1H-Purin-2-amine

Basic Information

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CAS Number

452-06-2

Molecular Formula

C5H5N5

Molecular Weight

135.13 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

280-282 °C

Boiling Point

616.3°C at 760 mmHg

Flash Point

362.9ºC

Refractive Index

1.7000 (estimate)

SMILES

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C1=C2C(=NC(=N1)N)N=CN2

InChI

InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)

InChIKey

MWBWWFOAEOYUST-UHFFFAOYSA-N

LogP

-0.06490000000000012

Topological Polar Surface Area

80.48 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

127

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

Synonyms & References

English

UNII-O14B3U97FW
Z2786042704
7H-Purin-2-amine (9CI)
9H-Purin-2-ylamine
HMS2230L13
2BP
2'-amino-purine
NSC 24129
2-aminopurine
AKOS006220998
BiomolKI_000044
Purine, 2-amino-
Isoadenine
SCHEMBL5631
BMK1-E8
SQ 22,451
SQ-22451
W13621
(9H-PURIN-2-YL)AMINE
NS00031498
AC-13347
FT-0611268
SMR000857109
HMS3373E01
NCGC00163382-01
7H-purin-2-amine
CHEMBL388594
BiomolKI2_000050
MFCD00005566
2-AP
CS-W013358

MDL Number

MFCD00005566

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-Purin-2-amine (CAS: 452-06-2)?

1H-Purin-2-amine (CAS: 452-06-2) is a solid at room temperature with a melting point of approximately 145°C. Its molecular weight is around 129.14 g/mol. This compound is slightly soluble in water and ethanol. It is known for its basic nature and can react with acids to form purine-2-aminium salts.

How is 1H-Purin-2-amine (CAS: 452-06-2) typically synthesized?

1H-Purin-2-amine (CAS: 452-06-2) is often synthesized by the reaction of 2-aminoimidazole with phosphorus oxychloride. This method provides good yield and selectivity. The reaction involves the formation of a purine-2-aminium intermediate, which is then hydrolyzed to yield the target compound.

What industries use 1H-Purin-2-amine (CAS: 452-06-2)?

1H-Purin-2-amine (CAS: 452-06-2) is primarily used in the pharmaceutical industry for the synthesis of purine-based drugs. It also finds applications in the chemical and biochemical research sectors for its basic functional group. Its role in polymer and sensor technology is also explored, though less extensively.

What precautions should be taken when handling 1H-Purin-2-amine (CAS: 452-06-2)?

When handling 1H-Purin-2-amine (CAS: 452-06-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of spill, use a fume hood and follow standard spill cleanup procedures as per the Material Safety Data Sheet (MSDS/SDS).