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| Name |
4-Isoxazolepropanoicacid, a-amino-2,3-dihydro-5-methyl-3-oxo- |
EINECS | N/A |
| CAS No. | 77521-29-0 | Density | 1.386 g/cm3 |
| PSA | 109.58000 | LogP | 0.34330 |
| Solubility | 1.2 mg/mL in water | Melting Point |
240 °C |
| Formula | C7H10N2O4 | Boiling Point | 425.6 °C at 760 mmHg |
| Molecular Weight | 186.167 | Flash Point | 211.2 °C |
| Transport Information | N/A | Appearance | White-to-Off White Powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(R,S)-a-Amino-3-hydroxy-5-methyl-4-isoxazolepropionicacid;(RS)-a-Amino-3-hydroxy-5-methyl-4-isoxazolepropionicacid;2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;AMPA (pharmaceutical);D,L-a-Amino-3-hydroxy-5-methylisoxazole-4-propionic acid;dl-a-Amino-3-hydroxy-5-methylisoxazole-4-propionicacid;a-Amino-2,3-dihydro-5-methyl-3-oxoisoxazole-4-propionicacid;a-Amino-3-hydroxy-5-methyl-4-isoxazolepropionate;a-Amino-3-hydroxy-5-methylisoxazole-4-propionicacid;g-Amino-3-hydroxy-5-methylisoxazole-4-propionicacid;2-Amino-3-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoic acid;2-ammonio-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl)propanoate;4-isoxazolepropanoic acid, α-amino-2,3-dihydro-5-methyl-3-oxo-;4-Isoxazolepropanoic acid, α-amino-3-hydroxy-5-methyl-;(R,S)-2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic acid; |
4-Isoxazolepropanoicacid, a-amino-2,3-dihydro-5-methyl-3-oxo- Specification
The 4-Isoxazolepropanoicacid, a-amino-2,3-dihydro-5-methyl-3-oxo-, with the CAS registry number 77521-29-0, has the systematic name of 3-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)alanine. It is a kind of white-to-off white powder, and belongs to the following product categories: Heterocyclic Compounds; Neurochemicals; Glutamate receptor. And the molecular formula of the chemical is C7H10N2O4. What's more, it should be stored at 2-8°C.
The characteristics of 4-Isoxazolepropanoicacid, a-amino-2,3-dihydro-5-methyl-3-oxo- are as followings: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.09; (4)ACD/LogD (pH 7.4): -2.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 42.24 cm3; (15)Molar Volume: 134.3 cm3; (16)Polarizability: 16.74×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 211.2 °C; (20)Enthalpy of Vaporization: 71.71 kJ/mol; (21)Boiling Point: 425.6 °C at 760 mmHg; (22)Vapour Pressure: 5.3E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1/C(=C(\ON1)C)CC(N)C(=O)O
(2)InChI: InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
(3)InChIKey: UUDAMDVQRQNNHZ-UHFFFAOYAT
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