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5-Amino-1-methylpyrazole-4-carboxamide

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Name

5-Amino-1-methylpyrazole-4-carboxamide

EINECS 200-258-5
CAS No. 18213-75-7 Density 1.56 g/cm3
PSA 86.93000 LogP 0.38270
Solubility N/A Melting Point 224-226°C
Formula C5H8N4O Boiling Point 355.1 °C at 760 mmHg
Molecular Weight 140.14 Flash Point 168.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-24/25-22 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 18213-75-7 (5-Amino-1-methylpyrazole-4-carboxamide) Hazard Symbols IrritantXi
Synonyms

Pyrazole-4-carboxamide,5-amino-1-methyl- (6CI,7CI,8CI);5-Amino-1-methyl-1H-pyrazole-4-carboxamide;5-Amino-1-methylpyrazole-4-carboxamide;NSC 102026;

 

5-Amino-1-methylpyrazole-4-carboxamide Specification

The 5-Amino-1-methylpyrazole-4-carboxamide is an organic compound with the formula C5H8N4O. The systematic name of this chemical is 5-amino-1-methyl-1H-pyrazole-4-carboxamide. With the CAS registry number 18213-75-7, it is also named as 1H-pyrazole-4-carboxamide, 5-amino-1-methyl-. The product's categories are Amide; Miscellaneous.

Physical properties about 5-Amino-1-methylpyrazole-4-carboxamide are: (1)CD/LogP: -1.60; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12.61; (5)ACD/KOC (pH 7.4): 12.62; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 41.37 Å2; (10)Index of Refraction: 1.695; (11)Molar Refractivity: 34.54 cm3; (12)Molar Volume: 89.8 cm3; (13)Polarizability: 13.69×10-24cm3; (14)Surface Tension: 69 dyne/cm; (15)Density: 1.56 g/cm3; (16)Flash Point: 168.6 °C; (17)Enthalpy of Vaporization: 60.02 kJ/mol; (18)Boiling Point: 355.1 °C at 760 mmHg; (19)Vapour Pressure: 3.2E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection, do not breathe dust and avoid contact with skin and eyes. In case of 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: O=C(c1cnn(c1N)C)N
(2)InChI: InChI=1/C5H8N4O/c1-9-4(6)3(2-8-9)5(7)10/h2H,6H2,1H3,(H2,7,10)
(3)InChIKey: JGSQVTVXGXOSCH-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H8N4O/c1-9-4(6)3(2-8-9)5(7)10/h2H,6H2,1H3,(H2,7,10)
(5)Std. InChIKey: JGSQVTVXGXOSCH-UHFFFAOYSA-N

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