Home >> Chemicals Listing >> hot product list by 1  

1H-Pyrazole-3-carboxylicacid, 5-amino-1-phenyl-, ethyl ester (866837-96-9)

Identification
Name:1H-Pyrazole-3-carboxylicacid, 5-amino-1-phenyl-, ethyl ester
Synonyms:ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate
CAS:866837-96-9
Molecular Formula: C12H13N3O2
Molecular Weight: 231.25
InChI: InChI=1/C12H13N3O2/c1-2-17-12(16)10-8-11(13)15(14-10)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
Molecular Structure: (C12H13N3O2) ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate
Properties
Density:1.25 g/cm3
Refractive index:1.609
Specification:

The systematic name of this chemical is 1H-Pyrazole-3-carboxylic acid, 5-amino-1-phenyl-, ethyl ester. With the CAS registry number 866837-96-9, it is also named as Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate; 5-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester. The product's categories is pyrazole. It should avoid direct sunshine. The price of this product changes with the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Index of Refraction: 1.609; (9)Molar Refractivity: 63.72 cm3; (10)Molar Volume: 183.9 cm3; (11)Polarizability: 25.26×10-24 cm3; (12)Surface Tension: 48.8 dyne/cm; (13)Density: 1.25 g/cm3; (14)Flash Point: 203.6 °C; (15)Enthalpy of Vaporization: 66.57 kJ/mol; (16)Boiling Point: 413 °C at 760 mmHg; (17)Vapour Pressure: 4.96E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES: CCOC(=O)c1cc(N)n(n1)c2ccccc2;
2. InChI: InChI=1/C12H13N3O2/c1-2-17-12(16)10-8-11(13)15(14-10)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3.

Safety Data
 

Other Product