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5-Isoxazolemethanamine,3-phenyl-

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Name

5-Isoxazolemethanamine,3-phenyl-

EINECS N/A
CAS No. 54408-35-4 Density 1.155 g/cm3
PSA 52.05000 LogP 2.50060
Solubility N/A Melting Point 51-53 °C
Formula C10H10N2O Boiling Point 342 °C at 760 mmHg
Molecular Weight 174.202 Flash Point 160.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 54408-35-4 ((3-PHENYL-5-ISOXAZOLYL)METHANAMINE) Hazard Symbols CorrosiveC
Synonyms

(3-Phenyl-5-isoxazolyl)methanamine;C-(3-Phenyl-Isoxazol-5-Yl)-Methylamine Oxalate;

Article Data 15

5-Isoxazolemethanamine,3-phenyl- Specification

The 5-Isoxazolemethanamine,3-phenyl-, with the CAS registry number 54408-35-4, is also known as (3-Phenyl-5-isoxazolyl)methanamine and C-(3-Phenyl-isoxazol-5-yl)-methylamine oxalate. This chemical's molecular formula is C10H10N2O and molecular weight is 174.2. What's more, its IUPAC name is called (3-Phenyl-1,2-oxazol-5-yl)methylazanium.

Physical properties about 5-Isoxazolemethanamine,3-phenyl- are: (1)ACD/LogP: 0.55; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.7; (4)ACD/LogD (pH 7.4): -0.01; (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): 13.14; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.27 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 49.68 cm3; (15)Molar Volume: 150.7 cm3; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.155 g/cm3; (18)Flash Point: 160.7 °C; (19)Enthalpy of Vaporization: 58.58 kJ/mol; (20)Boiling Point: 342 °C at 760 mmHg; (21)Vapour Pressure: 7.73E-05 mmHg at 25 °C; (22)Melting Point: 51-53 °C.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: n1oc(cc1c2ccccc2)CN
(2) InChI: InChI=1/C10H10N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7,11H2
(3) InChIKey: AQZLTCXQTOKUAA-UHFFFAOYAQ

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