Aspartame

Catalog	ACM22839470-1
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
Solubility	Slightly soluble in water, ethanol
Appearance	White powder
Storage	2-8 °C
Exact Mass	294.12157168
Isomeric SMILES	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N
Monoisotopic Mass	294.12157168
Odor	Odorless with a sweet taste
Physical State	Powder
Refractive Index	14.5 ° (C=4, 15mol/L Formic Acid)
Storage Conditions	2-8 °C
Topological Polar Surface Area	119 Ų