CAS | 22839-47-0 |
Structure | |
Synonyms | L-Alpha-aspartyl-L-phenylalanine-methylester |
IUPAC Name | (3S)-3-Amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid |
Molecular Weight | 294.31 |
Molecular Formula | C14H18N2O5 |
Canonical SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N |
InChI | InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1 |
InChI Key | IAOZJIPTCAWIRG-QWRGUYRKSA-N |
Boiling Point | 436.08 °C |
Melting Point | 242-248 °C |
Flash Point | 277.8 °C |
Purity | 98%+ |
Density | 1.2051 g/cm³ |
Refractive Index | 14.5 ° (C=4, 15mol/L Formic Acid) |
pKa | 3.19±0.01 |
pH | 4.5-6.0 |
Solubility in Water | Sparingly |
Appearance | White powder |
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