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CAS No.: | 18213-75-7 |
---|---|
Name: | 5-Amino-1-methylpyrazole-4-carboxamide |
Molecular Structure: | |
Formula: | C5H8N4O |
Molecular Weight: | 140.14 |
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; |
EINECS: | 200-258-5 |
Density: | 1.56 g/cm3 |
Melting Point: | 224-226°C |
Boiling Point: | 355.1 °C at 760 mmHg |
Flash Point: | 168.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39-24/25-22 |
PSA: | 86.93000 |
LogP: | 0.38270 |
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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