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CAS No.: | 100959-34-0 |
---|---|
Name: | 5-Isoxazolealanine,3-methyl-(6CI) |
Molecular Structure: | |
Formula: | C7H10N2O3 |
Molecular Weight: | 170.168 |
Synonyms: | 5-Isoxazolealanine,3-methyl- (6CI); |
Density: | 1.311 g/cm3 |
Boiling Point: | 348.2 °C at 760 mmHg |
Flash Point: | 164.4 °C |
PSA: | 89.35000 |
LogP: | 0.63770 |
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The CAS register number of 3-(3-Methyl-5-isoxazolyl)alanine is 100959-34-0. It also can be called as 5-Isoxazolepropanoicacid, a-amino-3-methyl- and the systematic name about this chemical is (2S)-2-amino-3-(3-methylisoxazol-5-yl)propanoic acid. The molecular formula about this chemical is C7H10N2O3 and the molecular weight is 170.17. It belongs to the Oxazole.
Physical properties about 3-(3-Methyl-5-isoxazolyl)alanine 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): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 89.35Å2; (9)Index of Refraction: 1.54; (10)Molar Refractivity: 40.7 cm3; (11)Molar Volume: 129.7 cm3; (12)Polarizability: 16.13x10-24cm3; (13)Surface Tension: 57.7 dyne/cm; (14)Enthalpy of Vaporization: 62.53 kJ/mol; (15)Boiling Point: 348.2 °C at 760 mmHg; (16)Vapour Pressure: 1.93E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(on1)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C7H10N2O3/c1-4-2-5(12-9-4)3-6(8)7(10)11/h2,6H,3,8H2,1H3,(H,10,11)/t6-/m0/s1
(3)InChIKey: ZVQYDFQJRNUCEW-LURJTMIEBX
(4)Std. InChI: InChI=1S/C7H10N2O3/c1-4-2-5(12-9-4)3-6(8)7(10)11/h2,6H,3,8H2,1H3,(H,10,11)/t6-/m0/s1
(5)Std. InChIKey: ZVQYDFQJRNUCEW-LURJTMIESA-N