4,5-Dimethylisoxazol-3-amine supplier

Name
3-Amino-4,5-dimethylisoxazole
EINECS 237-802-7
CAS No. 13999-39-8
Article Data6
CAS DataBase
Density 1.118 g/cm³
Solubility
Melting Point 115-117 °C
Formula C₅H₈N₂O
Boiling Point 249.974 °C at 760 mmHg
Molecular Weight 112.131
Flash Point 104.981 °C
Transport Information
Appearance Off-white to beige crystalline powder
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Isoxazole,3-amino-4,5-dimethyl- (7CI,8CI);(4,5-Dimethylisoxazol-3-yl)amine;3-Amino-4,5-dimethylisoxazole;3-Isoxazolamine,4,5-dimethyl-;4,5-Dimethyl-3-isoxazolamine;
PSA 52.05000
LogP 1.45480

4,5-Dimethylisoxazol-3-amine Specification

The 4,5-Dimethylisoxazol-3-amine, with the CAS registry number 13999-39-8, is also known as 3-Amino-4,5-dimethylisoxazole. Its EINECS number is 237-802-7. This chemical's molecular formula is C₅H₈N₂O and molecular weight is 112.13. What's more, its IUPAC name is 4,5-dimethyl-1,2-oxazol-3-amine. It is used as intermediates in organic syntheses.

Physical properties of 4,5-Dimethylisoxazol-3-amine are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.712; (4)ACD/BCF (pH 5.5): 2.047; (5)ACD/BCF (pH 7.4): 2.048; (6)ACD/KOC (pH 5.5): 58.101; (7)ACD/KOC (pH 7.4): 58.133; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 52.05 Å²; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 30.53 cm³; (14)Molar Volume: 100.282 cm³; (15)Surface Tension: 42.817 dyne/cm; (16)Density: 1.118 g/cm³; (17)Flash Point: 104.981 °C; (18)Enthalpy of Vaporization: 48.723 kJ/mol; (19)Boiling Point: 249.974 °C at 760 mmHg; (20)Vapour Pressure: 0.022 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(ON=C1N)C
(2)InChI: InChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)
(3)InChIKey: VPANVNSDJSUFEF-UHFFFAOYSA-N

Product Name

3-Amino-4,5-dimethylisoxazole

4,5-Dimethylisoxazol-3-amine Specification

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