Name: (3-PHENYL-5-ISOXAZOLYL)METHANAMINE
SKU: 54408-35-4

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Basic Information

Molecular Structure:
CAS No.:	54408-35-4
Name:	(3-PHENYL-5-ISOXAZOLYL)METHANAMINE
Article Data:	15

Formula:	C₁₀H₁₀N₂O
Molecular Weight:	174.202
Synonyms:	(3-Phenyl-5-isoxazolyl)methanamine;C-(3-Phenyl-Isoxazol-5-Yl)-Methylamine Oxalate;
Density:	1.155 g/cm³
Melting Point:	51-53 °C
Boiling Point:	342 °C at 760 mmHg
Flash Point:	160.7 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39
PSA:	52.05000
LogP:	2.50060

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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