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Name |
4,5-Bis(4-methoxyphenyl)-1H-pyrazol-3-amine |
EINECS | N/A |
CAS No. | 802919-05-7 | Density | 1.221 g/cm3 |
PSA | 73.16000 | LogP | 3.92430 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H17N3O2 | Boiling Point | 504.4 °C at 760 mmHg |
Molecular Weight | 295.33 | Flash Point | 258.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-pyrazol-3-amine, 4,5-bis(4-methoxyphenyl)-; |
Article Data | 3 |
The 4,5-Bis(4-methoxyphenyl)-1H-pyrazol-3-amine, with the CAS registry number 802919-05-7, is also known as 1H-Pyrazol-3-amine, 4,5-bis(4-methoxyphenyl)-. This chemical's molecular formula is C17H17N3O2 and molecular weight is 295.33. Its systematic name is called 4,5-bis(4-methoxyphenyl)-1H-pyrazol-3-amine.
Physical properties of 4,5-Bis(4-methoxyphenyl)-1H-pyrazol-3-amine: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 6.6; (6)ACD/BCF (pH 7.4): 7.2; (7)ACD/KOC (pH 5.5): 131.02; (8)ACD/KOC (pH 7.4): 142.99; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 85.55 cm3; (14)Molar Volume: 241.8 cm3; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.221 g/cm3; (17)Flash Point: 258.8 °C; (18)Enthalpy of Vaporization: 77.38 kJ/mol; (19)Boiling Point: 504.4 °C at 760 mmHg; (20)Vapour Pressure: 2.67E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c3ccc(c2c(nnc2c1ccc(OC)cc1)N)cc3)C
(2)InChI: InChI=1/C17H17N3O2/c1-21-13-7-3-11(4-8-13)15-16(19-20-17(15)18)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3,(H3,18,19,20)
(3)InChIKey: WSZUHKNALYOOHS-UHFFFAOYAM