Sodium (R,E)-2-(cyclohexa-1,4-dien-1-yl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate

Base Information

• Chemical Name: Sodium (R,E)-2-(cyclohexa-1,4-dien-1-yl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate
• CAS No.: 26774-89-0
• Molecular Formula: C13H17NO4.Na
• Molecular Weight: 273.26
• Hs Code.: 2922509090
• European Community (EC) Number: 248-000-1
• Mol file: 26774-89-0.mol

Synonyms:26774-89-0;Sodium (R,E)-2-(cyclohexa-1,4-dien-1-yl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate;(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt;sodium;(2R)-2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate;C13H17NO4.Na;C13-H17-N-O4.Na;AKOS015893914;AKOS016010542;AKOS024306959;DihydrophenylglycineMethylDanceSodiumSalt;A877146;sodium (R,E)-2-(cyclohexa-1,4-dienyl)-2-(4-methoxy-4-oxobut-2-en-2-ylamino)acetate;Sodium(R,E)-2-(cyclohexa-1,4-dien-1-yl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate;(R)-(+)- alpha -[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt;(R)-(+)--[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt;(R)-(+)-a-[(3-METHOXY-1-METHYL-3-OXO-1-PROPENYL)AMINO]-1,4-CYCLOHEXADIENE-1acetic acid,SODIUM SALT;(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt, 98%;(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4cyclohexadiene-1-acetic acid sodium salt;1,4-Cyclohexadiene-1-acetic acid, .alpha.-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-, monosodium salt, (R)-;SODIUM (2R)-2-(CYCLOHEXA-1,4-DIEN-1-YL)-2-{[(2E)-4-METHOXY-4-OXOBUT-2-EN-2-YL]AMINO}ACETATE

Chemical Property of Sodium (R,E)-2-(cyclohexa-1,4-dien-1-yl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder
• Melting Point: 240 °C (dec.)(lit.)
• PSA: 78.46000
• LogP: 0.43860
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 273.09770227
• Heavy Atom Count: 19
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

(R)-(+)-α-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+]
• Isomeric SMILES: C/C(=C\C(=O)OC)/N[C@H](C1=CCC=CC1)C(=O)[O-].[Na+]