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52196-90-4

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Basic Information
CAS No.: 52196-90-4
Name: 5-Benzyl-3-pyridinol
Molecular Structure:
Molecular Structure of 52196-90-4 (5-Benzyl-3-pyridinol)
Formula: C12H11NO
Molecular Weight: 185.225
Synonyms: 3-Benzyl-5-hydroxypyridine;5-Benzyl-3-hydroxypyridine;5-Benzyl-3-pyridinol;
Density: 1.154 g/cm3
Boiling Point: 423 °C at 760 mmHg
Flash Point: 209.6 °C
PSA: 33.12000
LogP: 2.37800
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Specification

The 5-Benzyl-3-pyridinol with the CAS number 52196-90-4 is also called 3-Pyridinol,5-(phenylmethyl)-. The systematic name is 5-benzylpyridin-3-ol. Its molecular formula is C12H11NO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-Benzyl-3-pyridinol are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 22.12 Å2; (7)Index of Refraction: 1.608; (8)Molar Refractivity: 55.54 cm3; (9)Molar Volume: 160.4 cm3; (10)Polarizability: 22.01×10-24cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Enthalpy of Vaporization: 70.35 kJ/mol; (13)Vapour Pressure: 9.36×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(cnc1)Cc2ccccc2
(2)InChI: InChI=1/C12H11NO/c14-12-7-11(8-13-9-12)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2
(3)InChIKey: BBQJCGXVQMUHAR-UHFFFAOYAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 500mg/kg (500mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Pharmaceutical Chemistry Journal Vol. 16, Pg. 259, 1982