27780-30-9

The CAS register number of 2-Oxazolamine,4,5-dihydro-4-methyl-5-phenyl-, (4S,5S)- is 27780-30-9. It also can be called as (4S,5S)-4-Methylaminorex and the systematic name about this chemical is (4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine. The molecular formula about this chemical is C₁₀H₁₂N₂O and the molecular weight is 176.21808.

Physical properties about 2-Oxazolamine,4,5-dihydro-4-methyl-5-phenyl-, (4S,5S)- are: (1)ACD/LogP: 1.62; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.07; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 24.83 Å²; (10)Index of Refraction: 1.608; (11)Molar Refractivity: 49.7 cm³; (12)Molar Volume: 143.5 cm³; (13)Polarizability: 19.7x10^-24cm³; (14)Surface Tension: 43.8 dyne/cm; (15)Density: 1.22 g/cm³; (16)Flash Point: 132.6 °C; (17)Enthalpy of Vaporization: 53.54 kJ/mol; (18)Boiling Point: 295.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00151 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\2=C(\O[C@@H](c1ccccc1)[C@@H]/2C)N
(2)InChI: InChI=1/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)/t7-,9+/m0/s1
(3)InChIKey: LJQBMYDFWFGESC-IONNQARKBT
(4)Std. InChI: InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)/t7-,9+/m0/s1
(5)Std. InChIKey: LJQBMYDFWFGESC-IONNQARKSA-N

The toxicity data are as follows: