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CAS No.: | 34595-26-1 |
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Name: | 2-PIPERIDIN-1-YL-BENZALDEHYDE |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C12H15NO |
Molecular Weight: | 189.257 |
Synonyms: | 2-(Piperidin-1-yl)benzaldehyde;2-(Piperidino)benzaldehyde;o-Piperidinobenzaldehyde; |
Density: | 1.091 g/cm3 |
Melting Point: | 95 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 323.8 °C at 760 mmHg |
Flash Point: | 124.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36-52 |
Safety: | 26 |
PSA: | 20.31000 |
LogP: | 2.55440 |
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The Benzaldehyde, 2-(1-piperidinyl)-, with the CAS registry number of 34595-26-1, is also known as 2-Piperidinobenzenecarbaldehyde and 2-(1-Piperidinyl)benzaldehyde. This chemical's molecular formula is C12H15NO and molecular weight is 189.25. What's more, its IUPAC name is 2-Piperidin-1-ylbenzaldehyde.
Physical properties about are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 36.72; (6)ACD/BCF (pH 7.4): 39.34; (7)ACD/KOC (pH 5.5): 449.89; (8)ACD/KOC (pH 7.4): 482.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 57.82 cm3; (15)Molar Volume: 173.3 cm3; (16)Polarizability: 22.92×10-24 cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.091 g/cm3; (19)Flash Point: 124.9 °C; (20)Enthalpy of Vaporization: 56.58 kJ/mol; (21)Boiling Point: 323.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000255 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccccc1N2CCCCC2
(2) InChI: InChI=1/C12H15NO/c14-10-11-6-2-3-7-12(11)13-8-4-1-5-9-13/h2-3,6-7,10H,1,4-5,8-9H2
(3) InChIKey: SMABIQIPGVQEEX-UHFFFAOYAB