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Sodium (R,E)-2-(Cyclohexa-1,4-Dien-1-Yl)-2-((4-Methoxy-4-Oxobut-2-En-2-Yl)Amino)Acetate

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Sodium (R,E)-2-(Cyclohexa-1,4-Dien-1-Yl)-2-((4-Methoxy-4-Oxobut-2-En-2-Yl)Amino)Acetate / CAS : 26774-89-0

Appearance White to grayish white crystalline powder UN 0.0
HS 29224999 DG Class 0.0
Synonyms (R)-(+)-α-[(3-Methoxy-1-Methyl-3-Oxo-1-Propenyl)Amino]-1,4-Cyclohexadiene-1-Acetic Acid Sodium Salt; D(-)-Dihydro Phenylglycine Sodium Dane Salt; Sodium (R)-Α-[(3-Methoxy-1-Methyl-3-Oxo-1-Propenyl)Amino]Cyclohexa-1,4-Diene-1-Acetate; (R)-(+)-Alpha-[(3-Methoxy-1-Methyl-3-Oxo-1-Propenyl)Amino]-1,4-Cyclohexadiene-1-Acetic Acid Sodium Salt
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Properties

Summary

Formula
C13H16NNaO4
Molecular Mass
273.26000
Exact Mass
273.09800
PSA
78.46000
Logp
0.43860
IUPAC
sodium;(2R)-2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate
SMILES
CC(=CC(=O)OC)N[C@H](C1=CCC=CC1)C(=O)[O-].[Na+]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
240ºC
Appearance
White to grayish white crystalline powder
Acidity and Basicity
neutral

Export information

HS Code
29224999
Export Rebate
13%
UN No.
0.0
DG-Class
0.0
Risk Code
R36/37/38
Safety Label
Xi

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