1-(1-Methyl-1H-pyrazol-3-yl)methanamine

Basic Information

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CAS Number

612511-81-6

Molecular Formula

C5H9N3

Molecular Weight

111.15 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

Boiling Point

219.8℃ at 760 mmHg

Density

1.16

Flash Point

86.7°C

Refractive Index

1.579

SMILES

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Cn1ccc(CN)n1

InChI

InChI=1S/C5H9N3/c1-8-3-2-5(4-6)7-8/h2-3H,4,6H2,1H3

InChIKey

SSXDUSOCSNXBPO-UHFFFAOYSA-N

LogP

-0.12120000000000009

Topological Polar Surface Area

43.84 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

74.1

Safety Information

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Hazard Statement

Synonyms & References

English

(1-Methyl-1H-pyrazol-3-yl)methanamine
(1-Methyl-1H-pyrazol-3-yl)methylamine
[(1-Methyl-1H-pyrazol-3-yl)methyl]amine
1H-Pyrazole-3-methanamine,1-methyl-
(1-methylpyrazol-3-yl)methylamine
1-(1-methyl-1H-pyrazol-3-yl)methanamine
1-methyl-pyrazole-3-methanamine
3-(aminomethyl)-1-methyl-1h-pyrazole
C-(1-Methyl-1H-pyrazol-3-yl)-methylamine
SBB020585
SureCN348762
(1-methylpyrazol-3-yl)methanamine
1H-PYRAZOLE-3-METHANAMINE, 1-METHYL-
SSXDUSOCSNXBPO-UHFFFAOYSA-N
3-(Aminomethyl)-1-methylpyrazole
ANW-
(1-methyl-1H-pyrazol-3-yl)methanamine

MDL Number

MFCD03419807

FAQ

What are the physical and chemical properties of 1-(1-Methyl-1H-pyrazol-3-yl)methanamine (CAS: 612511-81-6)?

1-(1-Methyl-1H-pyrazol-3-yl)methanamine is a solid in its crystalline form with a molecular weight of approximately 149.18 g/mol. It is slightly soluble in water and has a pKa of about 9.2. The compound exhibits moderate reactivity, particularly towards nucleophiles and reducing agents. It can undergo substitution and condensation reactions under specific conditions.

How is 1-(1-Methyl-1H-pyrazol-3-yl)methanamine (CAS: 612511-81-6) typically synthesized?

1-(1-Methyl-1H-pyrazol-3-yl)methanamine is usually synthesized via the reduction of 1-(1-methyl-1H-pyrazol-3-yl)formamide. This can be achieved using hydrogen and a palladium-based catalyst under hydrogen pressure. The reaction yields a high purity product with good selectivity and yield. Other methods include the reaction of methyl isocyanate with 1-methylpyrazole-3-carbaldehyde.

What industries use 1-(1-Methyl-1H-pyrazol-3-yl)methanamine (CAS: 612511-81-6)?

1-(1-Methyl-1H-pyrazol-3-yl)methanamine is used in the pharmaceutical industry for the synthesis of certain drugs, and in the polymer industry as a precursor for functional polymers. It is also utilized in the sensor technology for its sensing properties and in semiconductor applications due to its electronic properties.

What precautions should be taken when handling 1-(1-Methyl-1H-pyrazol-3-yl)methanamine (CAS: 612511-81-6)?

When handling 1-(1-Methyl-1H-pyrazol-3-yl)methanamine, it is essential to use personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood during handling and avoid inhaling or skin contact. Spills should be treated with care, using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.