AG00EECY

6414-58-0 | DIETHYL 2-ANILINOMALONATE

AG00EECY

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CAS Number	6414-58-0
Catalog Number	AG00EECY(AGN-PC-0JPHLH)
Chemical Name	DIETHYL 2-ANILINOMALONATE
IUPAC Name	diethyl 2-anilinopropanedioate
InChI	InChI=1S/C13H17NO4/c1-3-17-12(15)11(13(16)18-4-2)14-10-8-6-5-7-9-10/h5-9,11,14H,3-4H2,1-2H3
InChI Key	RUEYBBPBTGHLNO-UHFFFAOYSA-N
MDL Number	MFCD00122281
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
NSC Number	174010
SMILES	O=C(OCC)C(NC1=CC=CC=C1)C(OCC)=O
Synonyms	6414-58-0, Diethyl 2-(phenylamino)malonate, 2-Phenylamino-malonic acid diethyl ester, diethyl anilinomalonate, RUEYBBPBTGHLNO-UHFFFAOYSA-N, 1,3-diethyl 2-(phenylamino)propanedioate, diethyl 2-anilinopropanedioate, NSC174010, AC1L6VBV, Diethyl 2-anilinomalonate, Diethyl anilinopropanedioate, Anilinomalonsaeurediethylester, Diethyl 2-anilinomalonate #, diethyl 2-phenylaminomalonate, SCHEMBL2960871, CHEMBL3729248, CTK5C0817, diethyl 2-(phenyl-amino)malonate, DTXSID00306079, Anilinomalonic acid, diethyl ester, 2-Anilinomalonic acid diethyl ester, ZINC1702341, ZX-RL004540, 7283AE, CCG-49145, MFCD00122281, SBB100950, AKOS015838717, (Phenylamino)malonic acid diethyl ester, MCULE-1742694862, NSC-174010, KS-00000G19, AK325195, CS-10000, OR300758, diethyl 2-(phenylamino)propane-1,3-dioate, TR-022004, FT-0682817, Propanedioic acid, (phenylamino)-, diethyl ester, I04-4080, SR-01000638622-1, Propanedioic acid,2-(phenylamino)-, 1,3-diethyl ester, DIETHYL2-ANILINOMALONATE, C13H17NO4, CID299984, ACN-052993,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.116g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.282g/mol
Monoisotopic Mass	251.116g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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

Certificate of Analysis

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