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1H-Pyrazol-3-amine,5-(3-methoxyphenyl)-

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Name

1H-Pyrazol-3-amine,5-(3-methoxyphenyl)-

EINECS N/A
CAS No. 96799-04-1 Density 1.24 g/cm3
PSA 63.93000 LogP 2.24870
Solubility N/A Melting Point N/A
Formula C10H11N3O Boiling Point 456.7 °C at 760 mmHg
Molecular Weight 189.217 Flash Point 230 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 96799-04-1 (5-(3-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE) Hazard Symbols Xn
Synonyms

5-(3-Methoxyphenyl)-1H-pyrazol-3-ylamine;5-(3-Methoxyphenyl)-2H-pyrazol-3-ylamine;

Article Data 10

1H-Pyrazol-3-amine,5-(3-methoxyphenyl)- Specification

The 1H-Pyrazol-3-amine,5-(3-methoxyphenyl)- is an organic compound with the formula C10H11N3O. The systematic name of this chemical is 5-(3-Methoxyphenyl)-1H-pyrazol-3-amine. With the CAS registry number 96799-04-1, it is also named as 3-(3-Methoxyphenyl)-1H-pyrazol-5-amine. Besides, its molecular weight is 189.21.

The physical properties of 1H-Pyrazol-3-amine,5-(3-methoxyphenyl)- are: (1)ACD/LogP: 0.28; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): 0.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.98; (7)ACD/KOC (pH 7.4): 33.82; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 30.29 Å2; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 54.28 cm3; (14)Molar Volume: 152.5 cm3; (15)Polarizability: 21.51×10-24 cm3; (16)Surface Tension: 55.7 dyne/cm; (17)Density: 1.24 g/cm3; (18)Flash Point: 230 °C; (19)Enthalpy of Vaporization: 71.67 kJ/mol; (20)Boiling Point: 456.7 °C at 760 mmHg; (21)Vapour Pressure: 1.58E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cccc(c1)c2cc(nn2)N)C
(2)InChI: InChI=1/C10H11N3O/c1-14-8-4-2-3-7(5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
(3)InChIKey: KTRHWGYZQAKQQQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H11N3O/c1-14-8-4-2-3-7(5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
(5)Std. InChIKey: KTRHWGYZQAKQQQ-UHFFFAOYSA-N

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