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CAS No.: | 342405-34-9 |
---|---|
Name: | [4-(4-METHYLPIPERAZINO)PHENYL]METHANOL |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C12H18N2O |
Molecular Weight: | 206.288 |
Synonyms: | 4-(4-Methylpiperazin-1-yl)benzylalcohol;[4-(4-Methylpiperazin-1-yl)phenyl]methanol; |
Density: | 1.105 g/cm3 |
Melting Point: | 118-120 °C |
Boiling Point: | 363.7 °C at 760 mmHg |
Flash Point: | 189.4 °C |
Hazard Symbols: | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R34:Causes burns.; |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
Safety: | 26-36/37/39 |
Transport Information: | UN 1759 |
PSA: | 26.71000 |
LogP: | 0.93360 |
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The Benzenemethanol, 4-(4-methyl-1-piperazinyl)-, with the CAS registry number of 342405-34-9, is also known as [4-(4-Methylpiperazino)phenyl]methanol and 4-(4-Methylpiperazino)benzyl alcohol. It belongs to the product categories of Alcohols and Derivatives; Heterocycles. This chemical's molecular formula is C12H18N2O and molecular weight is 206.28. What's more, its systematic name is called [4-(4-Methylpiperazin-1-yl)phenyl]methanol.
Physical properties about Benzenemethanol, 4-(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): 0.25; (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): 22.28; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 61.18 cm3; (15)Molar Volume: 186.5 cm3; (16)Surface Tension: 44.6 dyne/cm; (17)Density: 1.105 g/cm3; (18)Flash Point: 189.4 °C; (19)Enthalpy of Vaporization: 64.34 kJ/mol; (20)Boiling Point: 363.7 °C at 760 mmHg; (21)Vapour Pressure: 6.29E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns on contact. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1ccc(cc1)N2CCN(C)CC2
(2) InChI: InChI=1/C12H18N2O/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12/h2-5,15H,6-10H2,1H3
(3) InChIKey: ZCAGHLIBKHFJDU-UHFFFAOYAF