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Name |
1H-Pyrazole-3-aceticacid, 5-amino- |
EINECS | 674-599-8 |
CAS No. | 174891-10-2 | Density | 1.555 g/cm3 |
PSA | 92.00000 | LogP | 0.20020 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H7N3O2 | Boiling Point | 504.4 °C at 760 mmHg |
Molecular Weight | 141.129 | Flash Point | 258.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3-Amino-1H-pyrazol-5-yl)acetic acid;(5-Amino-1H-pyrazol-3-yl)acetic acid;2-(3-Amino-1H-pyrazol-5-yl)acetic acid; |
The 1H-Pyrazole-3-aceticacid, 5-amino-, with the CAS registry number 174891-10-2, is also known as (3-Amino-1H-pyrazol-5-yl)acetic acid. This chemical's molecular formula is C5H7N3O2 and molecular weight is 141.13. What's more, its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)acetic acid.
Physical properties of 1H-Pyrazole-3-aceticacid, 5-amino- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 92 Å2; (10)Index of Refraction: 1.676; (11)Molar Refractivity: 34.12 cm3; (12)Molar Volume: 90.7 cm3; (13)Polarizability: 13.52×10-24cm3; (14)Surface Tension: 97.8 dyne/cm; (15)Density: 1.555 g/cm3; (16)Flash Point: 258.8 °C; (17)Enthalpy of Vaporization: 81.48 kJ/mol; (18)Boiling Point: 504.4 °C at 760 mmHg; (19)Vapour Pressure: 5.4E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(CC(=O)O)nn1
(2)Std. InChI: InChI=1S/C5H7N3O2/c6-4-1-3(7-8-4)2-5(9)10/h1H,2H2,(H,9,10)(H3,6,7,8)
(3)Std. InChIKey: WROZCSTUPGWSLS-UHFFFAOYSA-N