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CAS No.: | 10338-57-5 |
---|---|
Name: | 4-PIPERIDIN-1-YL-BENZALDEHYDE |
Article Data: | 46 |
Molecular Structure: | |
Formula: | C12H15NO |
Molecular Weight: | 189.257 |
Synonyms: | Benzaldehyde,p-piperidino- (7CI,8CI);4-(1-Piperidinyl)benzaldehyde;4-Piperidinobenzaldehyde;NSC 156549;p-Piperidinobenzaldehyde; |
Density: | 1.091 g/cm3 |
Melting Point: | 61-64 °C |
Boiling Point: | 344.3 °C at 760 mmHg |
Flash Point: | 137.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-36/39 |
PSA: | 20.31000 |
LogP: | 2.55440 |
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The IUPAC name of Benzaldehyde,4-(1-piperidinyl)- is 4-piperidin-1-ylbenzaldehyde. With the CAS registry number 10338-57-5, it is also named as 1-(4-Formylphenyl)piperidine. The product's category is API Intermediates. In addition, its molecular formula is C12H15NO and molecular weight is 189.25.
The other characteristics of Benzaldehyde,4-(1-piperidinyl)- can be summarized as: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 57.82 cm3; (9)Molar Volume: 173.3 cm3; (10)Polarizability: 22.92×10-24cm3; (11)Surface Tension: 44.5 dyne/cm; (12)Density: 1.091 g/cm3; (13)Flash Point: 137.6 °C; (14)Melting Point: 61-64 °C; (15)Enthalpy of Vaporization: 58.83 kJ/mol; (16)Boiling Point: 344.3 °C at 760 mmHg; (17)Vapour Pressure: 6.63E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=Cc1ccc(cc1)N2CCCCC2
(2)InChI: InChI=1/C12H15NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
(3)InChIKey: ILJVPSVCFVQUAD-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H15NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
(5)Std. InChIKey: ILJVPSVCFVQUAD-UHFFFAOYSA-N