Basic Information | Post buying leads | Suppliers |
Name |
5-Isoxazolemethanamine,N-methyl-3-phenyl- |
EINECS | N/A |
CAS No. | 852431-00-6 | Density | 1.092 g/cm3 |
PSA | 38.06000 | LogP | 2.45190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H12N2O | Boiling Point | 323.4 °C at 760 mmHg |
Molecular Weight | 188.2258 | Flash Point | 149.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
N-methyl-1-(3-phenylisoxazol-5-yl)methanamine; |
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