Basic Information | Post buying leads | Suppliers |
Name |
4-Isoxazolemethanamine,N,5-dimethyl-3-phenyl- |
EINECS | N/A |
CAS No. | 857283-57-9 | Density | 1.072 g/cm3 |
PSA | 38.06000 | LogP | 2.76030 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H14N2O | Boiling Point | 346.5 °C at 760 mmHg |
Molecular Weight | 202.25 | Flash Point | 163.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
N-Methyl-N-[(5-methyl-3-phenylisoxazol-4-yl)methyl]amine; |
The 4-Isoxazolemethanamine,N,5-dimethyl-3-phenyl-, with the CAS registry number 857283-57-9, is also known as N-Methyl-N-[(5-methyl-3-phenylisoxazol-4-yl)methyl]amine. This chemical's molecular formula is C12H14N2O and molecular weight is 202.25. What's more, its systematic name is called N-Methyl-1-(5-methyl-3-phenylisoxazol-4-yl)methanamine. When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact.
Physical properties about 4-Isoxazolemethanamine,N,5-dimethyl-3-phenyl- are: (1) ACD/LogP: 1.44; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 29.27 Å2; (7) Index of Refraction: 1.54; (8) Molar Refractivity: 59.2 cm3; (9) Molar Volume: 188.6 cm3; (10) Surface Tension: 38.8 dyne/cm; (11) Density: 1.072 g/cm3; (12) Flash Point: 163.4 °C; (13) Enthalpy of Vaporization: 59.07 kJ/mol; (14) Boiling Point: 346.5 °C at 760 mmHg; (15) Vapour Pressure: 5.71E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1oc(c(c1c2ccccc2)CNC)C
(2) InChI: InChI=1/C12H14N2O/c1-9-11(8-13-2)12(14-15-9)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
(3) InChIKey: IEMWBRRLWLUKQI-UHFFFAOYAY