2-(4-METHYLPIPERAZINO)BENZALDEHYDE

The Benzaldehyde,2-(4-methyl-1-piperazinyl)-, with the CAS registry number 85803-62-9, is also known as Buttpark 33\06-51. It belongs to the product category of Amino Acid Derivatives. This chemical's molecular formula is C₁₂H₁₆N₂O and molecular weight is 204.27. What's more, its systematic name is called 2-(4-Methylpiperazin-1-yl)benzaldehyde.

Physical properties about Benzaldehyde,2-(4-methyl-1-piperazinyl)- are: (1) ACD/LogP: 1.22; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.68; (4) ACD/LogD (pH 7.4): 0.91; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 2.44; (7) ACD/KOC (pH 5.5): 1.39; (8) ACD/KOC (pH 7.4): 53.74; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 23.55 Å²; (13) Index of Refraction: 1.581; (14) Molar Refractivity: 61.48 cm³; (15) Molar Volume: 184.4 cm³; (16) Surface Tension: 43.7 dyne/cm; (17) Density: 1.107 g/cm³; (18) Flash Point: 142.3 °C; (19) Enthalpy of Vaporization: 57.46 kJ/mol; (20) Boiling Point: 331.9 °C at 760 mmHg; (21) Vapour Pressure: 0.000152 mmHg at 25 °C; (22) Melting Point: 44 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, this chemicals may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2c(N1CCN(C)CC1)cccc2
(2) InChI: InChI=1/C12H16N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,10H,6-9H2,1H3
(3) InChIKey: GSRYZPWIWYYROI-UHFFFAOYAB