1-(4-HYDROXYBUTYL)-4-METHYLPIPERAZINE

The 1-Piperazinebutanol,4-methyl-, with CAS registry number 56323-03-6, belongs to the following product categories: (1)Piperidine; (2)Piperazines. It has the systematic name of 4-(4-methylpiperazin-1-yl)butan-1-ol. Besides this, it is also called 1-(4-Hydroxybutyl)-4-methylpiperazine. And the chemical formula of this chemical is C₉H₂₀N₂O.

Physical properties of 1-Piperazinebutanol,4-methyl-: (1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.22; (4)ACD/LogD (pH 7.4): -1.51; (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): 1.58; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 15.71 Å²; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 50.41 cm³; (15)Molar Volume: 176.6 cm³; (16)Polarizability: 19.98×10^-24cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 0.975 g/cm³; (19)Flash Point: 116.3 °C; (20)Enthalpy of Vaporization: 58.92 kJ/mol; (21)Boiling Point: 269.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000975 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-Piperazinebutanol,4-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: OCCCCN1CCN(CC1)C
(2)InChI: InChI=1/C9H20N2O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h12H,2-9H2,1H3
(3)InChIKey: GSFOUKVQYFLTRA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H20N2O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h12H,2-9H2,1H3
(5)Std. InChIKey: GSFOUKVQYFLTRA-UHFFFAOYSA-N