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CAS No.: | 291545-00-1 |
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Name: | 2-(4-Hydroxy-1-piperidinyl)benzaldehyde |
Molecular Structure: | |
Formula: | C12H15NO2 |
Molecular Weight: | 205.253 |
Synonyms: | 2-(4-Hydroxypiperidin-1-yl)benzaldehyde; |
Density: | 1.204 g/cm3 |
Boiling Point: | 379.5 °C at 760 mmHg |
Flash Point: | 183.3 °C |
PSA: | 40.54000 |
LogP: | 1.52520 |
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The CAS registry number of Benzaldehyde,2-(4-hydroxy-1-piperidinyl)- is 291545-00-1. This chemical's molecular formula is C12H15NO2 and molecular weight is 205.253. What's more, its systematic name is called 2-(4-Hydroxypiperidin-1-yl)benzaldehyde.
Physical properties about Benzaldehyde,2-(4-hydroxy-1-piperidinyl)- are: (1)ACD/LogP: 0.87; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.66; (6)ACD/BCF (pH 7.4): 2.7; (7)ACD/KOC (pH 5.5): 69.92; (8)ACD/KOC (pH 7.4): 70.81; (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: 59.41 cm3; (15)Molar Volume: 170.3 cm3; (16)Polarizability: 23.55×10-24 cm3; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.204 g/cm3; (19)Flash Point: 183.3 °C; (20)Enthalpy of Vaporization: 66.2 kJ/mol; (21)Boiling Point: 379.5 °C at 760 mmHg; (22)Vapour Pressure: 1.95E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccccc1N2CCC(O)CC2
(2) InChI: InChI=1/C12H15NO2/c14-9-10-3-1-2-4-12(10)13-7-5-11(15)6-8-13/h1-4,9,11,15H,5-8H2
(3) InChIKey: IOZXWZKDOMWEAG-UHFFFAOYAJ