Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzaldehyde,4-[4-(phenylmethyl)-1-piperazinyl]- |
EINECS | N/A |
CAS No. | 166438-88-6 | Density | 1.155 g/cm3 |
PSA | 23.55000 | LogP | 2.82420 |
Solubility | N/A | Melting Point |
73-75 °C |
Formula | C18H20N2O | Boiling Point | 446.3 °C at 760 mmHg |
Molecular Weight | 280.37 | Flash Point | 195.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(4-Benzylpiperazin-1-yl)benzaldehyde; |
Article Data | 6 |
The Benzaldehyde,4-[4-(phenylmethyl)-1-piperazinyl]-, with the CAS registry number 166438-88-6, is also known as 4-(4-Benzylpiperazin-1-yl)benzaldehyde. This chemical's molecular formula is C18H20N2O and molecular weight is 281.3716. What's more, its IUPAC name is 4-(4-Benzylpiperazin-4-ium-1-yl)benzaldehyde.
Physical properties about this chemical are: (1) ACD/LogP: 2.78; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.3; (4) ACD/LogD (pH 7.4): 2.77; (5) ACD/BCF (pH 5.5): 25.33; (6) ACD/BCF (pH 7.4): 74.88; (7) ACD/KOC (pH 5.5): 256.69; (8) ACD/KOC (pH 7.4): 758.85; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 23.55 Å2; (13) Index of Refraction: 1.626; (14) Molar Refractivity: 85.94 cm3; (15) Molar Volume: 242.7 cm3; (16) Polarizability: 34.07×10-24 cm3; (17) Surface Tension: 50.8 dyne/cm; (18) Density: 1.155 g/cm3; (19) Flash Point: 195.3 °C; (20) Enthalpy of Vaporization: 70.45 kJ/mol; (21) Boiling Point: 446.3 °C at 760 mmHg; (22) Vapour Pressure: 3.68E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc3ccc(N2CCN(Cc1ccccc1)CC2)cc3
(2) InChI: InChI=1/C18H20N2O/c21-15-17-6-8-18(9-7-17)20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2
(3) InChIKey: JDWZUVQRUPAVPK-UHFFFAOYAB