Benzaldehyde,4-(1-piperidinyl)- supplier

Name
4-PIPERIDIN-1-YL-BENZALDEHYDE
EINECS
CAS No. 10338-57-5
Article Data46
CAS DataBase
Density 1.091 g/cm³
Solubility
Melting Point 61-64 °C
Formula C₁₂H₁₅NO
Boiling Point 344.3 °C at 760 mmHg
Molecular Weight 189.257
Flash Point 137.6 °C
Transport Information
Appearance
Safety 26-36/39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Benzaldehyde,p-piperidino- (7CI,8CI);4-(1-Piperidinyl)benzaldehyde;4-Piperidinobenzaldehyde;NSC 156549;p-Piperidinobenzaldehyde;
PSA 20.31000
LogP 2.55440

Benzaldehyde,4-(1-piperidinyl)- Specification

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

Product Name

4-PIPERIDIN-1-YL-BENZALDEHYDE

Benzaldehyde,4-(1-piperidinyl)- Specification

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