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25194-67-6

Basic Information
CAS No.: 25194-67-6
Name: 6-PHENOXY-3-PYRIDINAMINE
Article Data: 15
Molecular Structure:
Molecular Structure of 25194-67-6 (6-PHENOXY-3-PYRIDINAMINE)
Formula: C11H10N2O
Molecular Weight: 186.213
Synonyms: Pyridine,5-amino-2-phenoxy- (8CI);2-Phenoxy-5-aminopyridine;5-Amino-2-phenoxypyridine;6-Phenoxy-3-pyridinamine;
Density: 1.197 g/cm3
Melting Point: 71 °C
Boiling Point: 365.3 °C at 760 mmHg
Flash Point: 174.7 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xn:Harmful;
">  Xn:Harmful;
Safety: 26-36/37
PSA: 48.14000
LogP: 3.03730
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Specification

The 3-Pyridinamine,6-phenoxy-, with the CAS registry number 25194-67-6, is also known as and 5-Amino-2-phenoxy-pyridin. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C11H10N2O and molecular weight is 186.21. What's more, both its IUPAC name and systematic name are the same which is called 6-Phenoxypyridin-3-amine. 

Physical properties about 3-Pyridinamine,6-phenoxy are: (1)ACD/LogP: 1.08; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 25.36 Å2; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 55.02 cm3; (9)Molar Volume: 155.5 cm3; (10)Polarizability: 21.81×10-24cm3; (11)Surface Tension: 52.3 dyne/cm; (12)Density: 1.197 g/cm3; (13)Flash Point: 174.7 °C; (14)Enthalpy of Vaporization: 61.15 kJ/mol; (15)Boiling Point: 365.3 °C at 760 mmHg; (16)Vapour Pressure: 1.59E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccccc1)c2ncc(cc2)N
(2) InChI: InChI=1/C11H10N2O/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2
(3) InChIKey: DETKIRMPBJPJRQ-UHFFFAOYAQ

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947.