3-Isoxazolemethanamine,N-methyl-5-phenyl- supplier

Name
N-METHYL-N-[(5-PHENYLISOXAZOL-3-YL)METHYL]AMINE
EINECS
CAS No. 852431-02-8
Density 1.092 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₂O
Boiling Point 323.4 °C at 760 mmHg
Molecular Weight 188.229
Flash Point 149.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine;
PSA 38.06000
LogP 2.45190

3-Isoxazolemethanamine,N-methyl-5-phenyl- Specification

The 3-Isoxazolemethanamine,N-methyl-5-phenyl-, with the CAS registry number 852431-02-8, is also known as N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine. This chemical's molecular formula is C₁₁H₁₂N₂O and molecular weight is 188.23. What's more, its systematic name is called N-Methyl-1-(5-phenylisoxazol-3-yl)methanamine. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 3-Isoxazolemethanamine,N-methyl-5-phenyl- are: (1) ACD/LogP: 1.74; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.52; (4) ACD/LogD (pH 7.4): 1.18; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 3.41; (7) ACD/KOC (pH 5.5): 1.17; (8) ACD/KOC (pH 7.4): 58.25; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 29.27 Å²; (13) Index of Refraction: 1.543; (14) Molar Refractivity: 54.37 cm³; (15) Molar Volume: 172.3 cm³; (16) Surface Tension: 39.9 dyne/cm; (17) Density: 1.092 g/cm³; (18) Flash Point: 149.4 °C; (19) Enthalpy of Vaporization: 56.54 kJ/mol; (20) Boiling Point: 323.4 °C at 760 mmHg; (21) Vapour Pressure: 0.000262 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2oc(c1ccccc1)cc2CNC
(2) InChI: InChI=1/C11H12N2O/c1-12-8-10-7-11(14-13-10)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3
(3) InChIKey: UOTLCNYQFPJOPY-UHFFFAOYAQ

Product Name

N-METHYL-N-[(5-PHENYLISOXAZOL-3-YL)METHYL]AMINE

3-Isoxazolemethanamine,N-methyl-5-phenyl- Specification

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