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

Name
4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZALDEHYDE
EINECS
CAS No. 439691-80-2
Article Data9
CAS DataBase
Density 1.099 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂O
Boiling Point 338.9 °C at 760 mmHg
Molecular Weight 218.299
Flash Point 141.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 4-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde;4-[(4-Methylpiperazino)methyl]benzaldehyde;
PSA 23.55000
LogP 1.12230

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

The Benzaldehyde, 4-[(4-methyl-1-piperazinyl)methyl]-, with the CAS registry number of 439691-80-2, is also known as 4-[(4-Methylpiperazino)methyl]benzaldehyde. This chemical's molecular formula is C₁₃H₁₈N₂O and molecular weight is 218.29. What's more, its systematic name is called 4-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde. Besides, this chemicals may destroy living tissue on contact.

Physical properties about Benzaldehyde, 4-[(4-methyl-1-piperazinyl)methyl]- are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 23.55 Å²; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 66.2 cm³; (9)Molar Volume: 198.5 cm³; (10)Surface Tension: 45 dyne/cm; (11)Density: 1.099 g/cm³; (12)Flash Point: 141.3 °C; (13)Enthalpy of Vaporization: 58.23 kJ/mol; (14)Boiling Point: 338.9 °C at 760 mmHg; (15)Vapour Pressure: 9.53E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(cc1)CN2CCN(CC2)C
(2) InChI: InChI=1/C13H18N2O/c1-14-6-8-15(9-7-14)10-12-2-4-13(11-16)5-3-12/h2-5,11H,6-10H2,1H3
(3) InChIKey: DJJFKXUSAXIMLS-UHFFFAOYAA

Product Name

4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZALDEHYDE

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

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