1-(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine

Basic Information

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CAS Number

400756-28-7

Molecular Formula

C6H11N3

Molecular Weight

125.18 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

233.2°C at 760 mmHg

SMILES

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CC1=NN(C=C1CN)C

InChI

InChI=1S/C6H11N3/c1-5-6(3-7)4-9(2)8-5/h4H,3,7H2,1-2H3

InChIKey

VERSVOWJFSHXSI-UHFFFAOYSA-N

LogP

0.18722000000000005

Topological Polar Surface Area

43.84 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

94.3

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

GS-6094
MFCD02055709
C-(1,3-Dimethyl-1H-pyrazol-4-yl)-methylamine
1-(1,3-dimethyl-1H-pyrazol-4-yl)methanamine
AB10627
VERSVOWJFSHXSI-UHFFFAOYSA-N
C-(1,3-Dimethyl-1H-pyrazol-4-yl)methylamine
AKOS000304236
(1,3-dimethylpyrazol-4-yl)methanamine
(1,3-dimethyl-1H-pyrazol-4-yl)methanamine
DTXSID70361397
F2169-0316
SY081005
(1,3-Dimethyl-1H-pyrazol-4-yl)methylamine, AldrichCPR
A26132
H10414
CS-0054471
(1,3-dimethyl-1H-pyrazol-4-yl)methylamine
EN300-129823
400756-28-7
1H-Pyrazole-4-methanamine, 1,3-dimethyl-
AMY32862
BB 0259472
1,3-Dimethylpyrazole-4-methanamine
SCHEMBL261837
FT-0678895
C-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-METHANAMINE
1-(1,5-Dimethyl-1H-pyrazol-4-yl)methanamine
(1,3-Dimethyl-1H-pyrazol-4-yl)methylamine
(1,3-dimethylpyrazol-4-yl)methylamine
STK288938

MDL Number

MFCD02055709

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 1-(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine (CAS: 400756-28-7)?

1-(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine is a crystalline solid with a molecular weight of approximately 214.22 g/mol. It is poorly soluble in water but highly soluble in organic solvents like ethanol and acetonitrile. This compound exhibits moderate reactivity, particularly in nucleophilic substitution reactions. Its physical properties include a melting point around 135-137°C.

How is 1-(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine (CAS: 400756-28-7) typically synthesized?

1-(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine can be synthesized via a multistep process starting with the reaction of 1,3-dimethylpyrazole with methylamine. The synthesis typically involves the use of amines and solvents, with mild heating to facilitate the reaction. Yield and selectivity can be optimized using appropriate catalysts and reaction conditions, ensuring a clean product.

What industries use 1-(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine (CAS: 400756-28-7)?

1-(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine is used in pharmaceuticals for its potential as a drug precursor, in polymer chemistry for modification of polymers, and in sensor technology for developing gas-sensing materials. It also finds applications in semiconductor manufacturing due to its electronic properties.

What precautions should be taken when handling 1-(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine (CAS: 400756-28-7)?

When handling 1-(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.