4-Pyrimidinamine

Basic Information

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CAS Number

591-54-8

Molecular Formula

C4H5N3

Molecular Weight

95.11 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

150.0 to 154.0 deg-C

Boiling Point

240.7°C at 760 mmHg

Water Solubility

Slightly soluble in water.

Flash Point

240.7 °C at 760 mmHg

Refractive Index

1.5200 (estimate)

SMILES

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C1=CN=CN=C1N

InChI

InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)

InChIKey

OYRRZWATULMEPF-UHFFFAOYSA-N

LogP

0.05880000000000002

pKa

5.71(at 20℃)

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

54.9

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4(3H)-Pyrimidinimine, (Z)- (9CI)
UNII-BU3262X8CZ
4(3H)-Pyrimidinimine, (E)- (9CI)
AKOS000505580
176773-07-2
A8332
176772-96-6
F0001-1551
4-Amino pyrimidine
4(3H)-Pyrimidinimine
AM20100438
6-Aminopyrimidine
163133-87-7
MFCD00006112
DTXSID10207841
NSC 401236
3,4-Dihydro-4-iminopyrimidine
FT-0603719
Pyrimidine, 4-amino-,
176773-06-1
BCP06825
CHEBI:38616
BDBM50354822
NSC401236
pyrimidin-4-amine
BU3262X8CZ
591-54-8
NSC-401236
4(3H)-Pyrimidinimine (9CI)
4-Pyrimidineamine
4(1H)-Pyrimidinimine (9CI)

MDL Number

MFCD00006112

Customs Code

2933599090

FAQ

What is 4-Pyrimidinamine (CAS: 591-54-8)?

4-Pyrimidinamine is a chemical compound with the CAS number 591-54-8. It is a white crystalline powder with the chemical formula C4H6N2. This compound is primarily used in pharmaceuticals as an intermediate for the synthesis of other compounds. It is also used in industry for its reactive nitrogen-containing pyrimidine structure.

What are the main uses of 4-Pyrimidinamine (CAS: 591-54-8)?

4-Pyrimidinamine (CAS: 591-54-8) is mainly used in the pharmaceutical industry as an intermediate for synthesizing various drugs. It is also utilized in the chemical industry for its reactive nitrogen-containing pyrimidine structure, often used in the development of organic compounds and in research contexts.

Is 4-Pyrimidinamine (CAS: 591-54-8) safe?

4-Pyrimidinamine (CAS: 591-54-8) is generally safe under proper handling conditions. However, it should be handled with care as it is a reactive compound. Users should follow safety guidelines, including wearing appropriate personal protective equipment and ensuring adequate ventilation. Avoid contact with eyes and skin. Keep away from heat and sources of ignition.

How should 4-Pyrimidinamine (CAS: 591-54-8) be stored?

4-Pyrimidinamine (CAS: 591-54-8) should be stored in a cool, dry place, away from direct sunlight and heat sources. Store in a tightly sealed container to prevent moisture and contamination. The storage temperature should not exceed 25°C, and humidity should be kept at a minimum to prevent degradation. Ensure proper labeling indicating the contents and hazards for easy reference and safety.