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CAS No.: | 402745-30-6 |
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Name: | [4-(4-ETHYLPIPERAZIN-1-YL)PHENYL]METHANOL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H20N2O |
Molecular Weight: | 220.315 |
Synonyms: | [4-(4-Ethylpiperazin-1-yl)phenyl]methanol; |
EINECS: | 604-604-1 |
Density: | 1.079 g/cm3 |
Boiling Point: | 376.58 °C at 760 mmHg |
Flash Point: | 191.838 °C |
PSA: | 26.71000 |
LogP: | 1.32370 |
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The [4-(4-Ethylpiperazin-1-yl)phenyl]methanol with the cas number 402745-30-6 is also called Benzenemethanol,4-(4-ethyl-1-piperazinyl)-. Its molecular formula is C13H20N2O. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 23; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.71 Å2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 65.802 cm3; (14)Molar Volume: 204.152 cm3; (15)Polarizability: 26.086×10-24cm3; (16)Surface Tension: 42.901 dyne/cm; (17)Enthalpy of Vaporization: 65.851 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCN1CCN(CC1)c2ccc(cc2)CO
(2)InChI: InChI=1/C13H20N2O/c1-2-14-7-9-15(10-8-14)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3
(3)InChIKey: HWFUWSSTCWTUSE-UHFFFAOYAF