Products Categories
CAS No.: | 123987-13-3 |
---|---|
Name: | 3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANOL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H18N2O |
Molecular Weight: | 206.288 |
Synonyms: | 3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANOL |
Density: | 1.106 g/cm3 |
Boiling Point: | 364.698 °C at 760 mmHg |
Flash Point: | 190.274 °C |
PSA: | 26.71000 |
LogP: | 0.93360 |
What can I do for you?
Get Best Price
The Benzenemethanol, 3-(4-methyl-1-piperazinyl)- has CAS registry number 123987-13-3. This chemical's molecular formula is C12H18N2O and molecular weight is 206.287. What's more, its systematic name is [3-(4-Methylpiperazin-1-yl)phenyl]methanol.
Physical properties about Benzenemethanol, 3-(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.88; (4)ACD/BCF (pH 5.5): 1 ; (5)ACD/BCF (pH 7.4): 2.254; (6)ACD/KOC (pH 5.5): 1.18 ; (7)ACD/KOC (pH 7.4): 49.211; (8)#H bond acceptors: 3 ; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3 ; (11)Polar Surface Area: 26.71 Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 61.183 cm3; (14)Molar Volume: 186.572 cm3; (15)Polarizability: 24.255×10-24 cm3; (16)Surface Tension: 44.696 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 190.274 °C ; (19)Enthalpy of Vaporization: 64.455 kJ/mol; (20)Boiling Point: 364.698 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CN1CCN(CC1)c2cccc(c2)CO
(2) InChI: InChI=1/C12H18N2O/c1-13-5-7-14(8-6-13)12-4-2-3-11(9-12)10-15/h2-4,9,15H,5-8,10H2,1H3
(3) InChIKey: WUTDMUUJMMFJMQ-UHFFFAOYAC