Benzaldehyde,4-(4-hydroxy-1-piperidinyl)- supplier

Name
4-(4-HYDROXYPIPERIDIN-1-YL)BENZALDEHYDE
EINECS
CAS No. 79421-44-6
Article Data7
CAS DataBase
Density 1.205 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 401.516 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 196.63 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Hydroxypiperidin-1-yl)benzaldehyde;
PSA 40.54000
LogP 1.52520

Benzaldehyde,4-(4-hydroxy-1-piperidinyl)- Specification

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

Product Name

4-(4-HYDROXYPIPERIDIN-1-YL)BENZALDEHYDE

Benzaldehyde,4-(4-hydroxy-1-piperidinyl)- Specification

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