(3S,4R)-(-)-4-(4'-Fluorophenyl)3-hydroxymethyl)-piperidine supplier

Name
(3S,4R)-(-)-4-(4'-FLUOROPHENYL)3-HYDROXYMETHYL)-PIPERIDINE
EINECS 212-273-5
CAS No. 125224-43-3
Article Data7
CAS DataBase
Density 1.105 g/cm³
Solubility
Melting Point 81-83 °C
Formula C₁₂H₁₆FNO
Boiling Point 327.2 °C at 760 mmHg
Molecular Weight 209.264
Flash Point 151.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Piperidinemethanol,4-(4-fluorophenyl)-, (3S-trans)-;(3S,4R)-(-)-4-(4-Fluorophenyl)-3-piperidinemethanol;(3S,4R)-4-(4-Fluorophenyl)piperidine-3-methanol;
PSA 32.26000
LogP 1.83990

(3S,4R)-(-)-4-(4'-Fluorophenyl)3-hydroxymethyl)-piperidine Specification

The CAS registry number of 3-Piperidinemethanol,4-(4-fluorophenyl)-, (3S,4R)- is 125224-43-3. In addition, the molecular formula is C₁₂H₁₆FNO and the molecular weight is 209.26. Its systematic name is [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 3-Piperidinemethanol,4-(4-fluorophenyl)-, (3S,4R)- are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.26 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 57.073 cm³; (15)Molar Volume: 189.452 cm³; (16)Polarizability: 22.626 ×10^-24cm³; (17)Surface Tension: 39.382 dyne/cm; (18)Density: 1.105 g/cm³; (19)Flash Point: 151.672 °C; (20)Enthalpy of Vaporization: 60.112 kJ/mol; (21)Boiling Point: 327.178 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)[C@@H]2CCNC[C@H]2CO
(2)Std. InChI: InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10-,12-/m0/s1
(3)Std. InChIKey: IBOPBHBOBJYXTD-JQWIXIFHSA-N

Product Name

(3S,4R)-(-)-4-(4'-FLUOROPHENYL)3-HYDROXYMETHYL)-PIPERIDINE

(3S,4R)-(-)-4-(4'-Fluorophenyl)3-hydroxymethyl)-piperidine Specification

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