1H-Pyrazole-4-carboxylicacid, 5-amino-1-(2-hydroxyethyl)- supplier

Name
5-amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
EINECS
CAS No. 58046-50-7
Article Data4
CAS DataBase
Density 1.63 g/cm³
Solubility
Melting Point 145-146 °C (decomp)
Formula C₆H₉N₃O₃
Boiling Point 461.1 °C at 760 mmHg
Molecular Weight 171.156
Flash Point 232.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-(2-hydroxyethyl)-1H-4-pyrazolecarboxylic acid;5-Amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid;
PSA 101.37000
LogP -0.26300

1H-Pyrazole-4-carboxylicacid, 5-amino-1-(2-hydroxyethyl)- Specification

The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(2-hydroxyethyl)-, with the CAS registry number 58046-50-7, is also known as 5-Amino-(2-hydroxyethyl)-1H-4-pyrazolecarboxylic acid. This chemical's molecular formula is C₆H₉N₃O₃ and molecular weight is 171.15. What's more, its IUPAC name is 5-amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid.

Physical properties of 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(2-hydroxyethyl)- are: (1)ACD/LogP: -1.47; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.43; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 56.59 Å²; (11)Index of Refraction: 1.67; (12)Molar Refractivity: 39.12 cm³; (13)Molar Volume: 104.7 cm³; (14)Polarizability: 15.51×10^-24cm³; (15)Surface Tension: 76 dyne/cm; (16)Density: 1.63 g/cm³; (17)Flash Point: 232.7 °C; (18)Enthalpy of Vaporization: 76.06 kJ/mol; (19)Boiling Point: 461.1 °C at 760 mmHg; (20)Vapour Pressure: 2.68E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cnn(c1N)CCO
(2)Std. InChI: InChI=1S/C6H9N3O3/c7-5-4(6(11)12)3-8-9(5)1-2-10/h3,10H,1-2,7H2,(H,11,12)
(3)Std. InChIKey: MNYCPVYUUASZQS-UHFFFAOYSA-N

Product Name

5-amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid

1H-Pyrazole-4-carboxylicacid, 5-amino-1-(2-hydroxyethyl)- Specification

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