4-Piperidineethanol,1-(phenylmethyl)- supplier

Name
N-BENZYL-4-(2-HYDROXYETHYL)PIPERIDINE
EINECS
CAS No. 76876-70-5
Article Data9
CAS DataBase
Density 1.039 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₁NO
Boiling Point 327.9 °C at 760 mmHg
Molecular Weight 219.327
Flash Point 145 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzyl-4-piperidineethanol;2-(1-Benzylpiperidin-4-yl)ethanol;N-Benzyl-4-(2-hydroxyethyl)piperidine;
PSA 23.47000
LogP 2.21890

4-Piperidineethanol,1-(phenylmethyl)- Specification

The 4-Piperidineethanol,1-(phenylmethyl)-, with the CAS registry number 76876-70-5, is also known as 1-Benzyl-4-piperidineethanol. Its molecular formula is C₁₄H₂₁NO and its systematic name is 2-(1-benzylpiperidin-4-yl)ethanol. Additionally, its product category is Pharmacetical. Please avoid contacting with skin and eyes if you use this chemical.

Other characteristics of the 4-Piperidineethanol,1-(phenylmethyl)- can be summarised as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.12; (4)ACD/LogD (pH 7.4): 0.36; (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): 8.46; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 66.65 cm³; (15)Molar Volume: 210.8 cm³; (16)Polarizability: 26.42×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.039 g/cm³; (19)Flash Point: 145 °C; (20)Enthalpy of Vaporization: 60.2 kJ/mol; (21)Boiling Point: 327.9 °C at 760 mmHg; (22)Vapour Pressure: 7.93E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OCCC2CCN(Cc1ccccc1)CC2
2.InChI: InChI=1/C14H21NO/c16-11-8-13-6-9-15(10-7-13)12-14-4-2-1-3-5-14/h1-5,13,16H,6-12H2
3.InChIKey: FBFPTWSKNJHCGT-UHFFFAOYAA

Product Name

N-BENZYL-4-(2-HYDROXYETHYL)PIPERIDINE

4-Piperidineethanol,1-(phenylmethyl)- Specification

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