AG00EBHL

6296-99-7 | Diethyl aminomethylenemalonate

AG00EBHL

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CAS Number	6296-99-7
Catalog Number	AG00EBHL(AGN-PC-0JO6CE)
Chemical Name	Diethyl aminomethylenemalonate
IUPAC Name	diethyl 2-(aminomethylidene)propanedioate
InChI	InChI=1S/C8H13NO4/c1-3-12-7(10)6(5-9)8(11)13-4-2/h5H,3-4,9H2,1-2H3
InChI Key	WDTWMEZMHUEZKH-UHFFFAOYSA-N
MDL Number	MFCD01075695
Molecular Formula	C8H13NO4
Molecular Weight	187.1931
NSC Number	17499
SMILES	C(=CN)(C(=O)OCC)C(=O)OCC
Synonyms	6296-99-7, diethyl 2-(aminomethylene)malonate, DIETHYL AMINOMETHYLENEMALONATE, MFCD01075695, Aminomethylenemalonic acid diethyl ester, AK-45245, 1,3-diethyl 2-(aminomethylidene)propanedioate, Propanedioic acid, (aminomethylene)-, diethyl ester, diethyl(aminomethylene)malonate, AC1L5EZP, (Amino-methylene)malonic acid, diethyl ester, AC1Q63KA, ACMC-1B66V, KSC494C4D, diethyl amino-methylenemalonate, SCHEMBL1543791, Diethyl (aminomethylene)malonate, CTK3J4141, KS-00000LZE, DTXSID80280580, WDTWMEZMHUEZKH-UHFFFAOYSA-N, NSC17499, ANW-49936, NSC-17499, AKOS015854780, Diethyl (aminomethylidene)propanedioate, ZINC100008169, CS-W004732, diethyl 2-(aminomethylene)propanedioate, MCULE-4500903313, RP03497, RTR-033092, VZ31805, diethyl 2-(aminomethylidene)propanedioate, BR-45245, CC-26654, DS-13501, SC-84150, 2-aminomethylene-malonic acid diethyl ester, AB0025933, AB1006785, AX8005424, ST2419233, TR-033092, 2-(Aminomethylene)malonic acid diethyl ester, FT-0624831, ST45021405, W7498, diethyl 2-(aminomethylene)propane-1,3-dioate, S-1549, 296D997, C-07634, J-520276, Diethylaminomethylenemalonate, C8H13NO4, Diethyl 2-(aminomethylene)malote, AR-1I4987, CID226751, 6957-68-2,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.195g/mol
Monoisotopic Mass	187.084g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	78.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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