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| CAS No.: | 628325-62-2 |
|---|---|
| Name: | 3-(4-Methylpiperazin-1-yl)benzaldehyde |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C12H16N2O |
| Molecular Weight: | 204.272 |
| Synonyms: | Benzaldehyde, 3-(4-Methyl-1-piperazinyl)- |
| Density: | 1.107 g/cm3 |
| Boiling Point: | 344.8 °C at 760 mmHg |
| Flash Point: | 151.1 °C |
| PSA: | 23.55000 |
| LogP: | 1.25380 |
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- Total:25 Page 1 of 1 1
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Specification
The CAS registry number of Benzaldehyde, 3-(4-methyl-1-piperazinyl)- is 628325-62-2. This chemical's molecular formula is C12H16N2O and molecular weight is 204.2682. What's more, its systematic name is called 3-(4-Methylpiperazin-1-yl)benzaldehyde.
Physical properties about Benzaldehyde, 3-(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: 1.22; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.92; (4)#H bond acceptors: 3; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 23.55 Å2; (8)Index of Refraction: 1.581; (9)Molar Refractivity: 61.48 cm3; (10)Molar Volume: 184.4 cm3; (11)Polarizability: 24.37×10-24 cm3; (12)Surface Tension: 43.7 dyne/cm; (13)Density: 1.107 g/cm3; (14)Flash Point: 151.1 °C; (15)Enthalpy of Vaporization: 58.88 kJ/mol; (16)Boiling Point: 344.8 °C at 760 mmHg; (17)Vapour Pressure: 6.43E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CN1CCN(CC1)c2cccc(c2)C=O
(2) InChI: InChI=1/C12H16N2O/c1-13-5-7-14(8-6-13)12-4-2-3-11(9-12)10-15/h2-4,9-10H,5-8H2,1H3
(3) InChIKey: LQDFMHOZQXAHNJ-UHFFFAOYAW