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CAS No.: | 51788-08-0 |
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Name: | 3-[4-(2-methylphenyl)piperazin-1-yl]propan-1-ol |
Molecular Structure: | |
Formula: | C14H22N2O |
Molecular Weight: | 234.341 |
Synonyms: | 3-[4-(2-Methylphenyl)piperazin-1-yl]propan-1-ol; |
Density: | 1.062 g/cm3 |
Boiling Point: | 387.2 °C at 760 mmHg |
Flash Point: | 192.6 °C |
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The 1-Piperazinepropanol,4-(2-methylphenyl)-, with the CAS registry number 7148-05-2, is also known as 3-[4-(2-Methylphenyl)piperazin-1-yl]propan-1-ol. The molecular formula of this chemical is C14H22N2O and molecular weight is 234.34. What's more, it is an organic compound.
Physical properties of 1-Piperazinepropanol,4-(2-methylphenyl)- are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 15.71 Å2; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 70.34 cm3; (9)Molar Volume: 220.6 cm3; (10)Polarizability: 27.88×10-24 cm3; (11)Surface Tension: 42.2 dyne/cm; (12)Density: 1.062 g/cm3; (13)Flash Point: 192.6 °C; (14)Enthalpy of Vaporization: 67.11 kJ/mol; (15)Boiling Point: 387.2 °C at 760 mmHg; (16)Vapour Pressure: 1.09E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1N2CCN(CC2)CCCO
(2)InChI: InChI=1S/C14H22N2O/c1-13-5-2-3-6-14(13)16-10-8-15(9-11-16)7-4-12-17/h2-3,5-6,17H,4,7-12H2,1H3
(3)InChIKey: XLORWOVJUOSFND-UHFFFAOYSA-N