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CAS No.: | 79421-44-6 |
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Name: | 4-(4-HYDROXYPIPERIDIN-1-YL)BENZALDEHYDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C12H15NO2 |
Molecular Weight: | 205.257 |
Synonyms: | 4-(4-Hydroxypiperidin-1-yl)benzaldehyde; |
Density: | 1.205 g/cm3 |
Boiling Point: | 401.516 °C at 760 mmHg |
Flash Point: | 196.63 °C |
PSA: | 40.54000 |
LogP: | 1.52520 |
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The Benzaldehyde,4-(4-hydroxy-1-piperidinyl)-, with the CAS registry number of 79421-44-6, is also known as 4-(4-Hydroxy-1-piperidinyl)benzaldehyde. It belongs to the product category of API intermediates. This chemical's molecular formula is C12H15NO2 and molecular weight is 205.25. What's more, both its IUPAC name and systematic name is 4-(4-Hydroxypiperidin-1-yl)benzaldehyde.
Physical properties about the Benzaldehyde,4-(4-hydroxy-1-piperidinyl)- are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.265; (4)ACD/LogD (pH 7.4): 1.267; (5)ACD/BCF (pH 5.5): 5.383; (6)ACD/BCF (pH 7.4): 5.404; (7)ACD/KOC (pH 5.5): 115.981; (8)ACD/KOC (pH 7.4): 116.439; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.54 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 59.413 cm3; (15)Molar Volume: 170.354 cm3; (16)Surface Tension: 54.539 dyne/cm; (17)Density: 1.205 g/cm3; (18)Flash Point: 196.63 °C; (19)Enthalpy of Vaporization: 68.813 kJ/mol; (20)Boiling Point: 401.516 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:c1cc(ccc1C=O)N2CCC(CC2)O
(2) InChI:InChI=1/C12H15NO2/c14-9-10-1-3-11(4-2-10)13-7-5-12(15)6-8-13/h1-4,9,12,15H,5-8H2
(3) InChIKey:XORVVRSWELVXLH-UHFFFAOYAZ