3-Isoxazolemethanamine,5-(2-furanyl)-N-methyl- supplier

Name
N-[[5-(2-FURYL)ISOXAZOL-3-YL]METHYL]-N-METHYLAMINE
EINECS
CAS No. 857348-51-7
Density 1.148 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O₂
Boiling Point 292.1 °C at 760 mmHg
Molecular Weight 178.19
Flash Point 130.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-{[5-(2-Furyl)isoxazol-3-yl]methyl}-N-methylamine;
PSA 51.20000
LogP 2.04490

3-Isoxazolemethanamine,5-(2-furanyl)-N-methyl- Specification

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

Product Name

N-[[5-(2-FURYL)ISOXAZOL-3-YL]METHYL]-N-METHYLAMINE

3-Isoxazolemethanamine,5-(2-furanyl)-N-methyl- Specification

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