Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate supplier

Name
ETHYL 5-AMINO-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
EINECS
CAS No. 15001-11-3
Article Data4
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point 114-116 °C
Formula C₁₃H₁₅N₃O₂
Boiling Point 394.8 °C at 760 mmHg
Molecular Weight 245.281
Flash Point 192.5 °C
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Hazard Symbols
Synonyms Pyrazole-4-carboxylicacid, 5-amino-1-p-tolyl-, ethyl ester (8CI);Ethyl 5-amino-1-(4-methylphenyl)pyrazole-4-carboxylate;5-Amino-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl 5-amino-1-(p-tolyl)-1H-pyrazole-4-carboxylate;
PSA 70.14000
LogP 2.52080

Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate Specification

The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-methylphenyl)-, ethyl ester, with the CAS registry number 15001-11-3, is also known as 5-Amino-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₃H₁₅N₃O₂ and molecular weight is 245.28. What's more, its systematic name is ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate.

Physical properties of 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-methylphenyl)-, ethyl ester are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 47.36 Å²; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 68.15 cm³; (9)Molar Volume: 199.2 cm³; (10)Polarizability: 27.01×10^-24cm³; (11)Surface Tension: 45.5 dyne/cm; (12)Density: 1.23 g/cm³; (13)Flash Point: 192.5 °C; (14)Enthalpy of Vaporization: 64.48 kJ/mol; (15)Boiling Point: 394.8 °C at 760 mmHg; (16)Vapour Pressure: 1.93E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2cnn(c1ccc(cc1)C)c2N
(2)InChI: InChI=1S/C13H15N3O2/c1-3-18-13(17)11-8-15-16(12(11)14)10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3
(3)InChIKey: HYLAFESEWXPMFD-UHFFFAOYSA-N

Product Name

ETHYL 5-AMINO-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE

Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate Specification

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