Basic Information | Post buying leads | Suppliers |
Name |
3-Isoxazolemethanamine,5-(2-furanyl)-N-methyl- |
EINECS | N/A |
CAS No. | 857348-51-7 | Density | 1.148 g/cm3 |
PSA | 51.20000 | LogP | 2.04490 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10N2O2 | Boiling Point | 292.1 °C at 760 mmHg |
Molecular Weight | 178.19 | Flash Point | 130.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-{[5-(2-Furyl)isoxazol-3-yl]methyl}-N-methylamine; |
The 3-Isoxazolemethanamine,5-(2-furanyl)-N-methyl-, with the CAS registry number 857348-51-7, is also known as N-{[5-(2-Furyl)isoxazol-3-yl]methyl}-N-methylamine. This chemical's molecular formula is C9H10N2O2 and molecular weight is 178.19. What's more, its systematic name is called 1-(5-Furan-2-ylisoxazol-3-yl)-N-methylmethanamine.
Physical properties about 3-Isoxazolemethanamine,5-(2-furanyl)-N-methyl- are: (1) ACD/LogP: 0.93; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.32; (4) ACD/LogD (pH 7.4): 0.38; (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): 21.39; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 42.41 Å2; (13) Index of Refraction: 1.513; (14) Molar Refractivity: 46.67 cm3; (15) Molar Volume: 155.1 cm3; (16) Surface Tension: 38.8 dyne/cm; (17) Density: 1.148 g/cm3; (18) Flash Point: 130.4 °C; (19) Enthalpy of Vaporization: 53.16 kJ/mol; (20) Boiling Point: 292.1 °C at 760 mmHg; (21) Vapour Pressure: 0.00187 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n2oc(c1occc1)cc2CNC
(2) InChI: InChI=1/C9H10N2O2/c1-10-6-7-5-9(13-11-7)8-3-2-4-12-8/h2-5,10H,6H2,1H3
(3) InChIKey: CQBVGZVXQOWFHV-UHFFFAOYAD