4-(1-Benzylpiperidin-4-yl)butan-1-ol supplier

Name
4-(1-Benzylpiperidin-4-yl)butan-1-ol
EINECS
CAS No. 318508-02-0
Article Data4
CAS DataBase
Density 1.014g/cm³
Solubility
Melting Point
Formula C₁₆H₂₅NO
Boiling Point 358.467 °C at 760 mmHg
Molecular Weight 247.381
Flash Point 155.472 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(1-Benzylpiperidin-4-yl)butan-1-ol;4-piperidinebutanol, 1-(phenylmethyl)-;
PSA 23.47000
LogP 2.99910

4-(1-Benzylpiperidin-4-yl)butan-1-ol Specification

The 4-(1-Benzylpiperidin-4-yl)butan-1-ol, with CAS registry number of 318508-02-0, has the systematic name of 4-(1-benzylpiperidin-4-yl)butan-1-ol. And it is also called 4-piperidinebutanol, 1-(phenylmethyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 24; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 23.47 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 75.919 cm³; (15)Molar Volume: 243.909 cm³; (16)Polarizability: 30.097×10^-24cm³; (17)Surface Tension: 40.719 dyne/cm; (18)Enthalpy of Vaporization: 63.727 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCC2CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C16H25NO/c18-13-5-4-6-15-9-11-17(12-10-15)14-16-7-2-1-3-8-16/h1-3,7-8,15,18H,4-6,9-14H2
(3)InChIKey: SXNYWACHEZSLBF-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C16H25NO/c18-13-5-4-6-15-9-11-17(12-10-15)14-16-7-2-1-3-8-16/h1-3,7-8,15,18H,4-6,9-14H2
(5)Std. InChIKey: SXNYWACHEZSLBF-UHFFFAOYSA-N

Product Name

4-(1-Benzylpiperidin-4-yl)butan-1-ol

4-(1-Benzylpiperidin-4-yl)butan-1-ol Specification

Related Products

Hot Products