Benzaldehyde,2-[4-(phenylmethyl)-1-piperazinyl]- supplier

Name
2-(4-BENZYLPIPERAZINO)BENZALDEHYDE
EINECS
CAS No. 112253-26-6
Article Data4
CAS DataBase
Density 1.155 g/cm³
Solubility
Melting Point 58 °C
Formula C₁₈H₂₀N₂O
Boiling Point 429.9 °C at 760 mmHg
Molecular Weight 280.37
Flash Point 184.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(4-Benzylpiperazin-1-yl)benzaldehyde;
PSA 23.55000
LogP 2.82420

Benzaldehyde,2-[4-(phenylmethyl)-1-piperazinyl]- Specification

The Benzaldehyde, 2-[4-(phenylmethyl)-1-piperazinyl]-, with the CAS registry number of 112253-26-6, is also known as 2-(4-Benzylpiperazino)benzenecarbaldehyde. This chemical's molecular formula is C₁₈H₂₀N₂O and molecular weight is 280.36. What's more, its systematic name is 2-(4-Benzylpiperazin-1-yl)benzaldehyde. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzaldehyde, 2-[4-(phenylmethyl)-1-piperazinyl]- are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 20.31; (6)ACD/BCF (pH 7.4): 67.01; (7)ACD/KOC (pH 5.5): 212.14; (8)ACD/KOC (pH 7.4): 699.94; (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)Surface Tension: 50.8 dyne/cm; (17)Density: 1.155 g/cm³; (18)Flash Point: 184.1 °C; (19)Enthalpy of Vaporization: 68.52 kJ/mol; (20)Boiling Point: 429.9 °C at 760 mmHg; (21)Vapour Pressure: 1.36E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc3ccccc3N2CCN(Cc1ccccc1)CC2
(2) InChI: InChI=1/C18H20N2O/c21-15-17-8-4-5-9-18(17)20-12-10-19(11-13-20)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2
(3) InChIKey: BDEPGTDKVXMYQP-UHFFFAOYAD

Product Name

2-(4-BENZYLPIPERAZINO)BENZALDEHYDE

Benzaldehyde,2-[4-(phenylmethyl)-1-piperazinyl]- Specification

Related Products

Hot Products