CAS No.103259-35-4,Ethyl 5-amino-1H-pyrazole-4-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103259-35-4
Name:	Ethyl 5-amino-1H-pyrazole-4-carboxylate
Article Data:	15

Formula:	C₆H₉N₃O₂
Molecular Weight:	155.1546
Synonyms:	1H-Pyrazole-4-carboxylic acid, 3-amino-, ethyl ester;
Density:	1.318 g/cm³
Boiling Point:	349.2 °C at 760 mmHg
Flash Point:	165 °C
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37

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Specification

The Ethyl 5-amino-1H-pyrazole-4-carboxylate, with the CAS registry number 103259-35-4, is also known as 1H-Pyrazole-4-carboxylic acid, 3-amino-, ethyl ester. This chemical's molecular formula is C₆H₉N₃O₂ and molecular weight is 155.1546. What's more, its systematic name is Ethyl 5-amino-1H-pyrazole-4-carboxylate.

Physical properties about Ethyl 5-amino-1H-pyrazole-4-carboxylate are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.9; (6)ACD/BCF (pH 7.4): 1.9; (7)ACD/KOC (pH 5.5): 55.04; (8)ACD/KOC (pH 7.4): 55.07; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.36 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 39.41 cm³; (15)Molar Volume: 117.6 cm³; (16)Polarizability: 15.62×10^-24 cm³; (17)Surface Tension: 63 dyne/cm; (18)Density: 1.318 g/cm³; (19)Flash Point: 165 °C; (20)Enthalpy of Vaporization: 59.36 kJ/mol; (21)Boiling Point: 349.2 °C at 760 mmHg; (22)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