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83763-31-9

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Basic Information
CAS No.: 83763-31-9
Name: 1-BENZYL-3-HYDROXY-4-DIMETHOXY-PIPERIDINE
Article Data: 6
Molecular Structure:
Molecular Structure of 83763-31-9 (1-BENZYL-3-HYDROXY-4-DIMETHOXY-PIPERIDINE)
Formula: C14H21NO3
Molecular Weight: 251.326
Synonyms: 4,4-Dimethoxy-1-benzylpiperidin-3-ol;
EINECS: 280-715-4
Density: 1.14 g/cm3
Boiling Point: 342.1 °C at 760 mmHg
Flash Point: 160.7 °C
PSA: 41.93000
LogP: 1.18020
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Specification

The 3-Piperidinol,4,4-dimethoxy-1-(phenylmethyl)-, with the CAS registry number 83763-31-9, is also known as 4,4-Dimethoxy-1-benzylpiperidin-3-ol. Its EINECS registry number is 280-715-4. This chemical's molecular formula is C14H21NO3 and molecular weight is 251.3214. What's more, its systematic name is called 1-Benzyl-4,4-dimethoxypiperidin-3-ol.

Physical properties about 3-Piperidinol,4,4-dimethoxy-1-(phenylmethyl)- are: (1)ACD/LogP: 1.64; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 1.73; (6)ACD/BCF (pH 7.4): 9.82; (7)ACD/KOC (pH 5.5): 30.91; (8)ACD/KOC (pH 7.4): 175.45; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 30.93 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 70.63 cm3; (15)Molar Volume: 220.1 cm3; (16)Polarizability: 28×10-24 cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 160.7 °C; (20)Enthalpy of Vaporization: 61.83 kJ/mol; (21)Boiling Point: 342.1 °C at 760 mmHg; (22)Vapour Pressure: 2.96E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(C2(OC)CCN(Cc1ccccc1)CC2O)C
(2) InChI: InChI=1/C14H21NO3/c1-17-14(18-2)8-9-15(11-13(14)16)10-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
(3) InChIKey: ANEFKQJYRFOSON-UHFFFAOYAN