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Potassium (R)-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate

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Name

Potassium (R)-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate

EINECS 273-992-8
CAS No. 69416-61-1 Density
Solubility Melting Point
Formula C13H14KNO5 Boiling Point 476.6oC at 760 mmHg
Molecular Weight 303.35 Flash Point 242.1oC
Transport Information Appearance white crystalline powder
Safety Risk Codes
Molecular Structure Molecular Structure of 69416-61-1 (Benzeneacetic acid,4-hydroxy-a-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-,potassium salt (1:1), (aR)-) Hazard Symbols
Synonyms

Benzeneaceticacid, 4-hydroxy-a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-,monopotassium salt, (R)-;Benzeneacetic acid, 4-hydroxy-a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-,monopotassium salt, (aR)- (9CI);

 

Potassium (R)-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate Specification

The CAS register number of Potassium (R)-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate is 69416-61-1. It also can be called as Benzeneacetic acid,4-hydroxy-a-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-,potassium salt (1:1), (aR)- and the IUPAC name about this chemical is potassium 2-(4-hydroxyphenyl)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate. The molecular formula about this chemical is C13H14KNO5 and the molecular weight is 303.35. It belongs to the Pharmaceutical Intermediates. This chemical can be obtained through salt and condensationthe by L-hydroxyphenylglycine, potassium hydroxide and methyl acetoacetate. In addition, this chemical can be used as intermediates of amoxicillin, hydroxyl Piperacillin, cefadroxil, ceftazidime oxygen yl benzyl piperazine hydroxyl and other semi-synthetic antibiotics.

Physical properties about Potassium (R)-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate are: (1)#H bond acceptors: 6; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 98.69Å2; (5)H-Bond Donor: 2; (6)H-Bond Acceptor: 6; (7)Rotatable Bond Count: 6; (8)Tautomer Count: 6; (9)Exact Mass: 303.050904; (10)MonoIsotopic Mass: 303.050904; (11)Topological Polar Surface Area: 98.7; (12)Heavy Atom Count: 20; (13)Complexity: 364; (14)Undefined Atom StereoCenter Count: 1; (15)Defined Bond StereoCenter Count: 1; (16)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: [K+].Oc1ccc(cc1)[C@H](NC(\C)=C\C(=O)OC)C([O-])=O
(2)InChI: InChI=1/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1/b8-7+;/t12-;/m0./s1
(3)InChIKey: HFDVONAPNRXRSV-STYBJNCCBT
(4)Std. InChI: InChI=1S/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1/b8-7+;/t12-;/m0./s1
(5)Std. InChIKey: HFDVONAPNRXRSV-WBYOOCJNSA-M

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