AG00DGUO

54535-22-7 | Diethyl 2-(anilinomethylene)malonate

AG00DGUO

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CAS Number	54535-22-7
Catalog Number	AG00DGUO(AGN-PC-0JNYJW)
Chemical Name	Diethyl 2-(anilinomethylene)malonate
IUPAC Name	diethyl 2-(anilinomethylidene)propanedioate
InChI	InChI=1S/C14H17NO4/c1-3-18-13(16)12(14(17)19-4-2)10-15-11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3
InChI Key	PYPCDUKQEIPHAF-UHFFFAOYSA-N
MDL Number	MFCD00173404
Molecular Formula	C14H17NO4
Molecular Weight	263.2891
NSC Number	99383
SMILES	O=C(OCC)/C(C(OCC)=O)=C/NC1=CC=CC=C1
Synonyms	54535-22-7, Diethyl 2-((phenylamino)methylene)malonate, Diethyl anilinomethylenemalonate, Diethyl 2-(anilinomethylene)malonate, diethyl (anilinomethylene)malonate, PYPCDUKQEIPHAF-UHFFFAOYSA-N, 1,3-diethyl 2-[(phenylamino)methylidene]propanedioate, 2-PHENYLAMINOMETHYLENE-MALONIC ACIDDIETHYL ESTER, AK115270, 2-phenylaminomethylene-malonic acid diethyl ester, AC1L6BN8, AC1Q63FN, NCIOpen2_006517, SCHEMBL395324, AC1Q31W3, KS-00000KMV, DTXSID70295042, Diethyl2-(anilinomethylene)malonate, NSC99383, ZINC1654199, 7894AB, MFCD00173404, NSC-99383, STL471947, AKOS001592756, API0008249, Diethyl 2-(anilinomethylene)malonate #, MCULE-7676193904, AJ-28849, CJ-26767, diethyl 2-(anilinomethylidene)propanedioate, (Anilinomethylene)malonic acid diethyl ester, AX8034044, DB-052601, FT-0622399, 6J-048, diethyl [(phenylamino)methylidene]propanedioate, AE-641/30076011, SR-01000391923, SR-01000391923-1, F1967-1625, Propanedioic acid, [(phenylamino)methylene]-, diethyl ester, C14H17NO4, AR-1I4621, CID264327, Diethyl2-((phenylamino)methylene)malonate, 5463-37-6,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.116g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	263.293g/mol
Monoisotopic Mass	263.116g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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