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93764-93-3

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Basic Information
CAS No.: 93764-93-3
Name: Ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate
Article Data: 3
Molecular Structure:
Molecular Structure of 93764-93-3 (Ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate)
Formula: C13H12N4O2
Molecular Weight: 256.264
Synonyms: 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester;
Density: 1.302 g/cm3
Boiling Point: 495.669 °C at 760 mmHg
Flash Point: 253.572 °C
PSA: 93.93000
LogP: 2.08408
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Chemistry

Molecular Structure of Ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate (CAS No.93764-93-3):

Molecular Formula: C13H12N4O2
Molecular Weight: 256.26
CAS No: 93764-93-3
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 93.93 Å2
Index of Refraction: 1.632
Molar Refractivity: 70.254 cm3
Molar Volume: 196.876 cm3
Surface Tension: 53.403 dyne/cm
Density: 1.302 g/cm3
Flash Point: 253.572 °C
Enthalpy of Vaporization: 76.327 kJ/mol
Boiling Point: 495.669 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Systematic Name: Ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate 
InChI: InChI=1/C13H12N4O2/c1-2-19-13(18)11-10(8-14)12(15)17(16-11)9-6-4-3-5-7-9/h3-7H,2,15H2,1H3
InChIKey: IEBFWSOLRJKQQN-UHFFFAOYAL
Std. InChI: InChI=1S/C13H12N4O2/c1-2-19-13(18)11-10(8-14)12(15)17(16-11)9-6-4-3-5-7-9/h3-7H,2,15H2,1H3
Std. InChIKey: IEBFWSOLRJKQQN-UHFFFAOYSA-N
Product Categories: Pyrazole

Specification

  Ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate (CAS No.93764-93-3), its synonyms are 1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-phenyl-, ethyl ester ; 5-Amino-4-cyano-1-phenyl-1H-Pyrazole-3-carboxylic acid ethyl ester  .