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

Name
5-[(Methylamino)methyl]-3-phenylisoxazole 97%
EINECS
CAS No. 852431-00-6
Density 1.092 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₂O
Boiling Point 323.4 °C at 760 mmHg
Molecular Weight 188.2258
Flash Point 149.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms N-methyl-1-(3-phenylisoxazol-5-yl)methanamine;
PSA 38.06000
LogP 2.45190

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

The CAS registry number of 5-Isoxazolemethanamine,N-methyl-3-phenyl- is 852431-00-6. The IUPAC name is N-methyl-1-(3-phenylisoxazol-5-yl)methanamine. In addition, the formula is C₁₁H₁₂N₂O and the molecular weight is 188.2258.

Physical properties about 5-Isoxazolemethanamine,N-methyl-3-phenyl- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 7.4): 0.07 ; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 38.06 Å²; (8)Index of Refraction: 1.543; (9)Molar Refractivity: 54.37 cm³; (10)Molar Volume: 172.3 cm³; (11)Polarizability: 21.55 ×10^-24cm³; (12)Surface Tension: 39.9 dyne/cm; (13)Density: 1.092 g/cm³; (14)Flash Point: 149.4 °C; (15)Enthalpy of Vaporization: 56.54 kJ/mol; (16)Boiling Point: 323.4 °C at 760 mmHg; (17)Vapour Pressure: 0.000262 mmHg at 25°C; (18)Isotope Atom Count: 0; (19)Defined Atom StereoCenter Count: 0; (20)Undefined Atom StereoCenter Count: 0; (21)Defined Bond StereoCenter Count: 0; (22)Undefined Bond StereoCenter Count: 0; (23)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)SMILES: CNCc1cc(no1)c2ccccc2
(2)InChI: InChI=1/C11H12N2O/c1-12-8-10-7-11(13-14-10)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3
(3)InChIKey: IUBUISGKALKRFN-UHFFFAOYAY

Product Name

5-[(Methylamino)methyl]-3-phenylisoxazole 97%

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

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