AG000OA6

1256633-23-4 | Butanoic acid, 4-[(2-ethoxy-2-oxoethyl)(phenylmethyl)amino]-, methyl ester

AG000OA6

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CAS Number	1256633-23-4
Catalog Number	AG000OA6(AGN-PC-0WADWV)
Chemical Name	Butanoic acid, 4-[(2-ethoxy-2-oxoethyl)(phenylmethyl)amino]-, methyl ester
IUPAC Name	methyl 4-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoate
InChI	InChI=1S/C16H23NO4/c1-3-21-16(19)13-17(11-7-10-15(18)20-2)12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3
InChI Key	AVWCGHITECLQNT-UHFFFAOYSA-N
MDL Number	MFCD18071032
Molecular Formula	C16H23NO4
Molecular Weight	293.3581
SMILES	O=C(OC)CCCN(CC1=CC=CC=C1)CC(OCC)=O
Synonyms	1256633-23-4, Methyl 4-[N-Benzyl-N-(2-ethoxy-2-oxoethyl)amino]butanoate, Methyl 4-(benzyl(2-ethoxy-2-oxoethyl)amino)butanoate, KS-00000AHR, Methyl4-[N-Benzyl-N-(2-ethoxy-2-oxoethyl)amino]butanoate, MFCD18071032, ZINC90471200, AKOS017414447, TRA0064331, AS-32511, SY011930, AJ-128806, DB-020123, TC-308520, FT-0761063, Z8964, K-1888, MFCD18071032 (95+%), Butanoic acid, 4-[(2-ethoxy-2-oxoethyl)(phenylmethyl)amino]-, methyl ester, C16H23NO4, AVWCGHITECLQNT-UHFFFAOYSA-N, 615-15-6,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.163g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	293.363g/mol
Monoisotopic Mass	293.163g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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