CAS No.112779-14-3,ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112779-14-3
Name:	ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE
Article Data:	6

Formula:	C₁₀H₁₇N₃O₂
Molecular Weight:	211.264
Synonyms:	5-Amino-1-tert-butyl-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl 5-amino-1-tert-butyl-1H-pyrazole-4-carboxylate;
Density:	1.154 g/cm³
Boiling Point:	324.484 °C at 760 mmHg
Flash Point:	150.043 °C
PSA:	70.14000
LogP:	1.97820

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Specification

This chemical is called 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(1,1-dimethylethyl)-, ethyl ester, and its CAS registry number is 112779-14-3. With the molecular formula of C₁₀H₁₇N₃O₂, its molecular weight is 211.26.

Other characteristics of the 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(1,1-dimethylethyl)-, ethyl ester can be summarised as followings: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 212; (8)ACD/KOC (pH 7.4): 213; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 70.14 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 57.038 cm³; (15)Molar Volume: 183.035 cm³; (16)Polarizability: 22.612×10^-24cm³; (17)Surface Tension: 38.639 dyne/cm; (18)Density: 1.154 g/cm³; (19)Flash Point: 150.043 °C; (20)Enthalpy of Vaporization: 56.651 kJ/mol; (21)Boiling Point: 324.484 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1cnn(c1N)C(C)(C)C
2.InChI: InChI=1/C10H17N3O2/c1-5-15-9(14)7-6-12-13(8(7)11)10(2,3)4/h6H,5,11H2,1-4H3
3.InChIKey: DJFSJKPXNYYPFK-UHFFFAOYAM