AG00IJS2

961-69-3 | Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate

AG00IJS2

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CAS Number	961-69-3
Catalog Number	AG00IJS2(AGN-PC-0W5T90)
Chemical Name	Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate
EC Number	213-510-5
IUPAC Name	potassium;(2R)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetate
InChI	InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1/b10-9+;/t13-;/m1./s1
InChI Key	QMWWAEFYIXXXQW-VMEHJNRZSA-M
MDL Number	MFCD00137489
Molecular Formula	C14H16KNO4
Molecular Weight	301.3794
SMILES	O=C([O-])[C@H](N/C(C)=C/C(OCC)=O)C1=CC=CC=C1.[K+]
Synonyms	961-69-3, Potassium (R,E)-2-((4-ethoxy-4-oxobut-2-en-2-yl)amino)-2-phenylacetate, Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate, W-100146, (R)-(-)-alpha-((3-ethoxy-1-methyl-3-oxo-1-propeny, 2-[N-(D-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt, D-Phenylglycine ethyl potassium dane salt, (R)-(-)-alpha-[(3-Ethoxy-1-methyl-3-oxo-1-propenyl)amino]benzeneacetic acid potassium salt, danesalt, (theta)-assiumsal, C14H17KNO4, d-phenylglycineethylpotassiumdanesalt, MFCD00137489, AKOS016010495, 1262750-76-4, AK117048, AS-15137, O209, SC-48571, AX8023266, ST24048975, ST51038448, D-PHENYL GLYCINE DANE SALT (ETHYL POTASSIUM SALT), (E)-Ethyl 2-[N-(D-(-)-Phenylglycine)]but-2-enoate Potassium Salt, 2-[N-(D-(-)-Phenylglycine) Ethyl trans-Crotonate Potassium Salt, alpha-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-benzeneaceticacimonopot, potassium (R,E)-2-(4-ethoxy-4-oxobut-2-en-2-ylamino)-2-phenylacetate, (R)-(-)-|A-[(3-Ethoxy-1-methyl-3-oxo-1-propenyl)amino]benzeneacetic acid potassium salt, (R)-(-)-alpha-[(3-Ethoxy-1-methyl-3-oxo-1-propenyl)amino] benzeneacetic acid potassium salt, .alpha.-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-,monopotassiumsalt,(r)-benzeneaceticacid, Benzeneacetic acid, a-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-,monopotassium salt, (aR)-, Dane Salt, 4,7-dichloro-1H-indole, UNII-81D2S4465Z, C14H17NO4.K, C14-H17-N-O4.K, EINECS 213-510-5, CID10990270, EC 213-510-5, Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl, Potassium (R)-((3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino)phenylacetate, , (|AR)-|A-[[(1E)-3-Ethoxy-1-methyl-3-oxo-1-propen-1-yl]amino]benzeneacetic Acid Potassium Salt, 96129-73-6, Benzeneacetic acid, .alpha.-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (.alpha.R)-, Benzeneacetic acid, .alpha.-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (R)-, Benzeneacetic acid, alpha-((3-ethoxy-1-methyl-3-oxo-1-propenyl)amino)-, monopotassium salt, (alphaR)-, Benzeneacetic acid, alpha-((3-ethoxy-1-methyl-3-oxo-1-propenyl)amino)-, monopotassium salt, (R)-,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	301.072g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	301.383g/mol
Monoisotopic Mass	301.072g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	78.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338-P280
UN Code

Certificate of Analysis

Lot Number