3-Isoxazolemethanamine,5-methyl- (154016-48-5)

The (5-Methyl-3-isoxazolyl)methylamine, with the CAS registry number 154016-48-5, is also known as 3-Isoxazolemethanamine, 5-methyl-. It belongs to the product categories of Heterocycle; Oxazoles, Isoxazoles & Benzoxazoles; Aminomethyl's. This chemical's molecular formula is C₅H₈N₂O and molecular weight is 112.13. Its systematic name is called 1-(5-methylisoxazol-3-yl)methanamine.

Physical properties of (5-Methyl-3-isoxazolyl)methylamine: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.54; (4)ACD/LogD (pH 7.4): -0.93; (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): 5.17; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 29.92 cm³; (14)Molar Volume: 101.7 cm³; (15)Surface Tension: 41.9 dyne/cm; (16)Density: 1.102 g/cm³; (17)Flash Point: 87 °C; (18)Enthalpy of Vaporization: 45.67 kJ/mol; (19)Boiling Point: 220.3 °C at 760 mmHg; (20)Vapour Pressure: 0.114 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and it may destroy living tissue on contact. In addition, it can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: n1oc(cc1CN)C
(2)InChI: InChI=1/C5H8N2O/c1-4-2-5(3-6)7-8-4/h2H,3,6H2,1H3
(3)InChIKey: AZVWIMLQRLKLHH-UHFFFAOYAX