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Name |
(R)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid |
EINECS | N/A |
CAS No. | 13188-89-1 | Density | 1.283±0.06 g/cm3(Predicted) |
PSA | 83.91000 | LogP | 1.33670 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13NO4 | Boiling Point | 413.1±45.0 °C(Predicted) |
Molecular Weight | 223.229 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
b-Benzyl D-aspartate;D-Aspartic acid b-benzyl ester;Asparticacid, 4-benzyl ester, D- (8CI); |
Article Data | 6 |
Systematic Name: 2-Amino-4-(benzyloxy)-4-oxobutanoic acid
Synonyms of (R)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS NO.13188-89-1): 2-Amino-4-(benzyloxy)-4-oxobutanoic acid
CAS NO: 13188-89-1
Molecular Formula: C11H13NO4
Molecular Weight: 223.22
Molecular Structure:
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 7
Polar Surface Area: 55.84 Å2
Index of Refraction: 1.563
Molar Refractivity: 56.53 cm3
Molar Volume: 173.9 cm3
Surface Tension: 56.1 dyne/cm
Density: 1.283 g/cm3
Flash Point: 203.6 °C
Enthalpy of Vaporization: 70.2 kJ/mol
Boiling Point: 413.1 °C at 760 mmHg
Vapour Pressure: 1.46E-07 mmHg at 25°C
Storage temp: Store at 0°C
Appearance: (R)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS NO.13188-89-1) is crystalline.
SMILES: O=C(O)C(N)CC(=O)OCc1ccccc1
InChI: InChI=1/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)
InChIKey: VGALFAWDSNRXJK-UHFFFAOYAT
Std. InChI: InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)
Std. InChIKey: VGALFAWDSNRXJK-UHFFFAOYSA-N