N,N'-1,2-Ethanediylbis[N-methy-b-alanine Diethyl Ester] - CAS 42434-14-0

Catalog:	BB065748
Product Name:	N,N'-1,2-Ethanediylbis[N-methy-b-alanine Diethyl Ester]
CAS:	42434-14-0
Synonyms:	beta-Alanine, N,N'-1,2-ethanediylbis[N-methyl-, diethyl ester

Technical Data

IUPAC Name:	ethyl 3-[2-[(3-ethoxy-3-oxopropyl)-methylamino]ethyl-methylamino]propanoate
Description:	N,N'-1,2-Ethanediylbis[N-methy-b-alanine Diethyl Ester is an intermediate in the synthesis of penta- and hexacoordinated organotin compounds.
Molecular Weight:	288.38
Molecular Formula:	C14H28N2O4
Canonical SMILES:	CCOC(=O)CCN(C)CCN(C)CCC(=O)OCC
InChI:	InChI=1S/C14H28N2O4/c1-5-19-13(17)7-9-15(3)11-12-16(4)10-8-14(18)20-6-2/h5-12H2,1-4H3
InChI Key:	AJCQINVXGKXXKG-UHFFFAOYSA-N
Solubility:	Acetone, Chloroform, DCM, DMSO, Ethyl Acetate, Methanol
Appearance:	Yellow Oil
References:	Jurkschat, K., et al. J. Organometallic. Chem., 347, 41 (1988).

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.20490738
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.20490738
Rotatable Bond Count:	13
Topological Polar Surface Area:	59.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7