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CAS No.: | 91517-26-9 |
---|---|
Name: | 2-(4-METHOXY-PHENYL)-PIPERAZINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H16N2O |
Molecular Weight: | 192.261 |
Synonyms: | 2-(4-Methoxyphenyl)piperazine; |
Density: | 1.029g/cm3 |
Melting Point: | 55-63℃ |
Boiling Point: | 331.5 °C at 760 mmHg |
Flash Point: | 131.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25-38-41 |
Safety: | 26-39-45 |
PSA: | 33.29000 |
LogP: | 1.58670 |
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The Piperazine,2-(4-methoxyphenyl)-, with CAS registry number 91517-26-9, has the systematic name of 2-(4-methoxyphenyl)piperazine. Besides this, it is also called piperazine, 2-(4-methoxyphenyl)-. And this chemical formula of this chemical is C11H16N2O.
Physical properties of Piperazine,2-(4-methoxyphenyl)-: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.67; (4)ACD/LogD (pH 7.4): -1.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 56.26 cm3; (15)Molar Volume: 186.7 cm3; (16)Polarizability: 22.3×10-24cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Enthalpy of Vaporization: 57.42 kJ/mol; (19)Vapour Pressure: 0.000155 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)C2NCCNC2)C
(2)InChI: InChI=1/C11H16N2O/c1-14-10-4-2-9(3-5-10)11-8-12-6-7-13-11/h2-5,11-13H,6-8H2,1H3
(3)InChIKey: INKLSJITWMAFRT-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H16N2O/c1-14-10-4-2-9(3-5-10)11-8-12-6-7-13-11/h2-5,11-13H,6-8H2,1H3
(5)Std. InChIKey: INKLSJITWMAFRT-UHFFFAOYSA-N