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5-Amino-1,3-dimethylpyrazole

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Name

5-Amino-1,3-dimethylpyrazole

EINECS
CAS No. 3524-32-1 Density 1.17g/cm3
Solubility Melting Point 65-69 °C(lit.)
Formula C5H9N3 Boiling Point 234.7 °C at 760 mmHg
Molecular Weight 111.15 Flash Point 95.8 °C
Transport Information Appearance
Safety 26-36-37/39 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 3524-32-1 (1H-Pyrazol-5-amine,1,3-dimethyl-) Hazard Symbols HarmfulXn; IrritantXi
Synonyms

Pyrazole,5-amino-1,3-dimethyl- (6CI,7CI,8CI);(1,3-Dimethyl-1H-pyrazol-5-yl)amine;1,3-Dimethyl-1H-pyrazol-5-amine;1,3-Dimethyl-1H-pyrazole-5-amine;1,3-Dimethyl-5-amino-1H-pyrazole;1,3-Dimethyl-5-aminopyrazole;1,3-Dimethyl-5-pyrazolamine;2,5-Dimethyl-2H-pyrazol-3-ylamine;3-Amino-2,5-dimethyl-2H-pyrazole;5-Amino-1,3-dimethyl-1H-pyrazole;5-Amino-1,3-dimethylpyrazole;

 

5-Amino-1,3-dimethylpyrazole Specification

The 5-Amino-1,3-dimethylpyrazole, with CAS registry number 3524-32-1, belongs to the following product categories: (1)Heterocycle; (2)Nucleotides and Nucleosides; (3)Bases & Related Reagents; (4)Nucleotides; (5)Building Blocks; (6)Heterocyclic Building Blocks; (7)Pyrazoles. It has the systematic name of 1,3-dimethyl-1H-pyrazol-5-amine. This chemical is a kind of white to light yellow crystal powder.

Physical properties of 5-Amino-1,3-dimethylpyrazole: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.69; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.71; (8)ACD/KOC (pH 7.4): 10.48; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 31.58 cm3; (15)Molar Volume: 94.6 cm3; (16)Polarizability: 12.52×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Enthalpy of Vaporization: 47.15 kJ/mol; (19)Vapour Pressure: 0.0521 mmHg at 25°C.

Uses of 5-Amino-1,3-dimethylpyrazole: it can be used to produce 1,3-dimethylpyrazolo[3,4-b]pyridine. This reaction will need solvents aq. HCl, ethanol. The reaction time is 1 hour(s). The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
The 5-Amino-1,3-dimethylpyrazole irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cc(N)n1C)C
(2)InChI: InChI=1/C5H9N3/c1-4-3-5(6)8(2)7-4/h3H,6H2,1-2H3
(3)InChIKey: ZFDGMMZLXSFNFU-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H9N3/c1-4-3-5(6)8(2)7-4/h3H,6H2,1-2H3
(5)Std. InChIKey: ZFDGMMZLXSFNFU-UHFFFAOYSA-N

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