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| CAS No.: | 772327-44-3 |
|---|---|
| Name: | 5(4H)-Oxazolone,2-(aminomethyl)-4-methyl-(9CI) |
| Molecular Structure: | |
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| Formula: | C5H8N2O2 |
| Molecular Weight: | 128.13 |
| Synonyms: | 5(4H)-Oxazolone,2-(aminomethyl)-4-methyl-(9CI);2-(Aminomethyl)-4-methyl-5(4H)-oxazolone;2-(aMinoMethyl)-4-Methyl-4,5-dihydro-1,3-oxazol-5-one |
| Density: | 1.44 g/cm3 |
| Boiling Point: | 183.7 °C at 760 mmHg |
| Flash Point: | 64.9 °C |
| PSA: | 64.68000 |
| LogP: | -0.57520 |
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Specification
The 5(4H)-Oxazolone,2-(aminomethyl)-4-methyl- is an organic compound with the formula C5H8N2O2. The systematic name of this chemical is 2-(Aminomethyl)-4-methyl-1,3-oxazol-5(4H)-one. With the CAS registry number 772327-44-3, it is also named as 2-(aminomethyl)-4-Methyl-5(4H)-oxazolone. The product's category is Glycinescaffold.
Physical properties about 5(4H)-Oxazolone,2-(aminomethyl)-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): 2.93; (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: 1.593; (10)Molar Refractivity: 30.05 cm3; (11)Molar Volume: 88.6 cm3; (12)Polarizability: 11.91×10-24cm3; (13)Surface Tension: 50.9 dyne/cm; (14)Density: 1.44 g/cm3; (15)Flash Point: 64.9 °C; (16)Enthalpy of Vaporization: 41.99 kJ/mol; (17)Boiling Point: 183.7 °C at 760 mmHg; (18)Vapour Pressure: 0.761 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1C(=O)OC(=N1)CN
(2)InChI: InChI=1/C5H8N2O2/c1-3-5(8)9-4(2-6)7-3/h3H,2,6H2,1H3
(3)InChIKey: YDGZPLVFUOBXAB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H8N2O2/c1-3-5(8)9-4(2-6)7-3/h3H,2,6H2,1H3
(5)Std. InChIKey: YDGZPLVFUOBXAB-UHFFFAOYSA-N