1H-Pyrazole-4-carboxylicacid, 3-amino-1-methyl-, ethyl ester supplier

Name
PYRAZOLE-4-CARBOXYLIC ACID, 3-AMINO-1-METHYL-, ETHYL ESTER
EINECS
CAS No. 21230-43-3
Density 1.291 g/cm³
Solubility
Melting Point
Formula C₇H₁₁N₃O₂
Boiling Point 300.504 °C at 760 mmHg
Molecular Weight 169.183
Flash Point 135.54 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole-4-carboxylic acid, 3-amino-1-methyl-, ethyl ester;
PSA
LogP

1H-Pyrazole-4-carboxylicacid, 3-amino-1-methyl-, ethyl ester Specification

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

Product Name

PYRAZOLE-4-CARBOXYLIC ACID, 3-AMINO-1-METHYL-, ETHYL ESTER

1H-Pyrazole-4-carboxylicacid, 3-amino-1-methyl-, ethyl ester Specification

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