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857283-57-9

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Basic Information
CAS No.: 857283-57-9
Name: N-METHYL-N-[(5-METHYL-3-PHENYLISOXAZOL-4-YL)METHYL]AMINE
Molecular Structure:
Molecular Structure of 857283-57-9 (N-METHYL-N-[(5-METHYL-3-PHENYLISOXAZOL-4-YL)METHYL]AMINE)
Formula: C12H14N2O
Molecular Weight: 202.25
Synonyms: N-Methyl-N-[(5-methyl-3-phenylisoxazol-4-yl)methyl]amine;
Density: 1.072 g/cm3
Boiling Point: 346.5 °C at 760 mmHg
Flash Point: 163.4 °C
Hazard Symbols: CorrosiveC
PSA: 38.06000
LogP: 2.76030
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Specification

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