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CAS No.: | 19750-02-8 |
---|---|
Name: | 5-AMINO-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C6H9N3O2 |
Molecular Weight: | 155.16 |
Synonyms: | ethyl 5-amino-1H-4-pyrazolecarboxylate;5-Amino-1H-4-pyrazolecarboxylic acid ethyl ester;3-amino-1H-pyrazole-4-carboxylic acid ethyl ester; |
EINECS: | 230-262-3 |
Density: | 1.318 g/cm3 |
Melting Point: | 103-107 °C |
Boiling Point: | 349.2 °C at 760 mmHg |
Flash Point: | 165 °C |
Safety: | 24/25 |
PSA: | 81.00000 |
LogP: | 0.74980 |
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The 5-Amino-1H-pyrazole-4-carboxylic acid ethyl ester is an organic compound with the formula C6H9N3O2. The systematic name of this chemical is ethyl 5-amino-1H-pyrazole-4-carboxylate. With the CAS registry number 19750-02-8, it is also named as 1H-Pyrazole-4-carboxylic acid, 3-amino-, ethyl ester. The product's category is Pyrazole Series.
Physical properties about 5-Amino-1H-pyrazole-4-carboxylic acid ethyl ester are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.67; (3)ACD/LogD (pH 7.4): 0.67; (4)ACD/BCF (pH 5.5): 1.9; (5)ACD/BCF (pH 7.4): 1.9; (6)ACD/KOC (pH 5.5): 55.04; (7)ACD/KOC (pH 7.4): 55.07; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 47.36 Å2; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 39.41 cm3; (14)Molar Volume: 117.6 cm3; (15)Polarizability: 15.62×10-24cm3; (16)Surface Tension: 63 dyne/cm; (17)Density: 1.318 g/cm3; (18)Flash Point: 165 °C; (19)Enthalpy of Vaporization: 59.36 kJ/mol; (20)Boiling Point: 349.2 °C at 760 mmHg; (21)Vapour Pressure: 4.79E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cnnc1N
(2)InChI: InChI=1/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
(3)InChIKey: YPXGHKWOJXQLQU-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
(5)Std. InChIKey: YPXGHKWOJXQLQU-UHFFFAOYSA-N