AG00CLQM

40682-54-0 | ([1-PHENYL-METH-(E)-YLIDENE]-AMINO)-ACETIC ACID ETHYL ESTER

AG00CLQM

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CAS Number	40682-54-0
Catalog Number	AG00CLQM(AGN-PC-0JQDF1)
Chemical Name	([1-PHENYL-METH-(E)-YLIDENE]-AMINO)-ACETIC ACID ETHYL ESTER
IUPAC Name	ethyl 2-(benzylideneamino)acetate
InChI	InChI=1S/C11H13NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChI Key	PRQUMJAKVLLZHP-UHFFFAOYSA-N
MDL Number	MFCD00206541
Molecular Formula	C11H13NO2
Molecular Weight	191.2264
NSC Number	617266
SMILES	O=C(OCC)C/N=C/C1=CC=CC=C1
Synonyms	40682-54-0, ethyl 2-(benzylideneamino)acetate, N-Benzylideneglycine Ethyl Ester, Ethyl N-Benzylideneglycinate, (E)-ethyl 2-(benzylideneamino)acetate, [(benzylidene)-amino]-acetic acid ethyl ester, ([1-PHENYL-METH-(E)-YLIDENE]-AMINO)-ACETIC ACID ETHYL ESTER, 133038-44-5, {[1-Phenyl-meth-(E)-ylidene]-amino}-acetic acid ethyl ester, NSC617266, N-Benzylideneglycine ethyl, AC1L7B4L, benzylideneglycine ethyl ester, Glycine ethyl ester-benzylimine, AMBZ0059, Benzylidene Glycine Ethyl Ester, SCHEMBL1973579, SCHEMBL1973580, Benzaldehyde Carbethoxymethylimine, CTK4I3558, DTXSID30326806, ethyl-2-(benzylideneamino)acetate, PRQUMJAKVLLZHP-UHFFFAOYSA-N, PRQUMJAKVLLZHP-XYOKQWHBSA-N, Ethyl N-(phenylmethylene)glycinate, MFCD00206541, ZINC17176299, AKOS006275485, AKOS028111399, ZINC100046262, AB04772, N-(Phenylmethylene)glycine Ethyl Ester, NSC 617266, NSC-617266, (E)-N-phenylmethyleneglycine ethyl ester, AM806099, BC221521, DA-06070, SC-31188, Glycine,N-(phenylmethylene)-, ethyl ester, ethyl 2-[(phenylmethylidene)amino]ethanoate, Glycine, N-(phenylmethylene)-, ethyl ester, FT-0658493, 2-[(E)-Benzylideneamino]acetic acid ethyl ester, 2-[(phenylmethylene)amino]acetic acid ethyl ester, A825233, S01-0254, ETHYL 2-[(E)-(PHENYLMETHYLIDENE)AMINO]ACETATE, ([1-PHENYL-METH-(E)-YLIDENE]-AMINO)-ACETIC ACID ET, CID357745, ethyl 2-(phenylmethylene)aminoacetate,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.095g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.23g/mol
Monoisotopic Mass	191.095g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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