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CAS No.: | 791050-65-2 |
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Name: | 5(4H)-Oxazolone,2-(1-aminoethyl)-4-methyl-(9CI) |
Molecular Structure: | |
Formula: | C6H10N2O2 |
Molecular Weight: | 142.157 |
Synonyms: | 5(4H)-Oxazolone,2-(1-aminoethyl)-4-methyl-(9CI);2-(1-Aminoethyl)-4-methyl-5(4H)-oxazolone;2-(1-aMinoethyl)-4-Methyl-4,5-dihydro-1,3-oxazol-5-one |
Density: | 1.36 g/cm3 |
Boiling Point: | 194.6 °C at 760 mmHg |
Flash Point: | 71.5 °C |
PSA: | 64.68000 |
LogP: | -0.18670 |
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The 5(4H)-Oxazolone,2-(1-aminoethyl)-4-methyl- is an organic compound with the formula C6H10N2O2. The systematic name of this chemical is 2-(1-Aminoethyl)-4-methyl-1,3-oxazol-5(4H)-one. With the CAS registry number 791050-65-2, it is also named as 2-(1-Aminoethyl)-4-methyl-5(4H)-oxazolone. The product's category is Glycinescaffold.
Physical properties about 5(4H)-Oxazolone,2-(1-aminoethyl)-4-methyl- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 3.92; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 64.68 Å2; (9)Index of Refraction: 1.577; (10)Molar Refractivity: 34.48 cm3; (11)Molar Volume: 103.9 cm3; (12)Polarizability: 13.66×10-24cm3; (13)Surface Tension: 44.1 dyne/cm; (14)Density: 1.36 g/cm3; (15)Flash Point: 71.5 °C; (16)Enthalpy of Vaporization: 43.08 kJ/mol; (17)Boiling Point: 194.6 °C at 760 mmHg; (18)Vapour Pressure: 0.438 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1C(=O)OC(=N1)C(C)N
(2)InChI: InChI=1/C6H10N2O2/c1-3(7)5-8-4(2)6(9)10-5/h3-4H,7H2,1-2H3
(3)InChIKey: QXHHHNXNVPRWDG-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H10N2O2/c1-3(7)5-8-4(2)6(9)10-5/h3-4H,7H2,1-2H3
(5)Std. InChIKey: QXHHHNXNVPRWDG-UHFFFAOYSA-N