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Name |
1H-Pyrazole-4-carboxylicacid, 3-amino-1-methyl-, ethyl ester |
EINECS | N/A |
CAS No. | 21230-43-3 | Density | 1.291 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H11N3O2 | Boiling Point | 300.504 °C at 760 mmHg |
Molecular Weight | 169.183 | Flash Point | 135.54 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrazole-4-carboxylic acid, 3-amino-1-methyl-, ethyl ester; |
The 1H-Pyrazole-4-carboxylicacid, 3-amino-1-methyl-, ethyl ester, with the CAS registry number of 21230-43-3, is also known as Pyrazole-4-carboxylic acid, 3-amino-1-methyl-, ethyl ester. This chemical's molecular formula is C7H11N3O2 and molecular weight is 169.18. What's more, its IUPAC name is Ethyl 3-amino-1-methylpyrazole-4-carboxylate.
Physical properties about 1H-Pyrazole-4-carboxylicacid, 3-amino-1-methyl-, ethyl ester are: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.951; (4)ACD/LogD (pH 7.4): 0.951; (5)ACD/BCF (pH 5.5): 3.109; (6)ACD/BCF (pH 7.4): 3.109; (7)ACD/KOC (pH 5.5): 78.378; (8)ACD/KOC (pH 7.4): 78.392; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.14 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 43.048 cm3; (15)Molar Volume: 131 cm3; (16)Polarizability: 17.066×10-24 cm3; (17)Surface Tension: 45.731 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 135.54 °C; (20)Enthalpy of Vaporization: 54.058 kJ/mol; (21)Boiling Point: 300.504 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following data into molecular structure:
(1) SMILES: CCOC(=O)c1cn(nc1N)C
(2) InChI: InChI=1/C7H11N3O2/c1-3-12-7(11)5-4-10(2)9-6(5)8/h4H,3H2,1-2H3,(H2,8,9)
(3) InChIKey: PVPKAOUYPAEICK-UHFFFAOYAT