Benzaldehyde,4-[4-(phenylmethyl)-1-piperazinyl]- supplier

Name
4-(4-BENZYLPIPERAZIN-1-YL)BENZALDEHYDE
EINECS
CAS No. 166438-88-6
Article Data6
CAS DataBase
Density 1.155 g/cm³
Solubility
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
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(4-Benzylpiperazin-1-yl)benzaldehyde;
PSA 23.55000
LogP 2.82420

Benzaldehyde,4-[4-(phenylmethyl)-1-piperazinyl]- Specification

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

Product Name

4-(4-BENZYLPIPERAZIN-1-YL)BENZALDEHYDE

Benzaldehyde,4-[4-(phenylmethyl)-1-piperazinyl]- Specification

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