AG007CXS

112018-26-5 | D-Aspartic Acid diethyl ester hydrochloride

AG007CXS

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CAS Number	112018-26-5
Catalog Number	AG007CXS(AGN-PC-0NXT2M)
Chemical Name	D-Aspartic Acid diethyl ester hydrochloride
IUPAC Name	diethyl (2R)-2-aminobutanedioate;hydrochloride
InChI	InChI=1S/C8H15NO4.ClH/c1-3-12-7(10)5-6(9)8(11)13-4-2;/h6H,3-5,9H2,1-2H3;1H/t6-;/m1./s1
InChI Key	AJOXZAAREAYBQR-FYZOBXCZSA-N
MDL Number	MFCD11225843
Molecular Formula	C8H16ClNO4
Molecular Weight	225.6699
SMILES	O=C(OCC)[C@H](N)CC(OCC)=O.[H]Cl
Synonyms	(R)-Diethyl 2-aminosuccinate hydrochloride, 112018-26-5, D-Aspartic acid diethyl ester hydrochloride, (r)-aspartic acid diethyl ester hydrochloride, AK-49446, D-Aspartic acid, diethyl ester, hydrochloride, (R)-Diethyl2-aminosuccinatehydrochloride, CTK0G1615, KS-00000KDG, KS-00000OLI, DTXSID80497272, MFCD11225843, Diethyl D-aspartate--hydrogen chloride, EBD2212817, DS-14329, AX8211498, FT-0697320, Diethyl D-aspartate--hydrogen chloride (1/1), 1,4-DIETHYL (2R)-2-AMINOBUTANEDIOATE HYDROCHLORIDE, H-Asp(OEt)-OEt.HCl, 16115-68-7, N/A,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	225.077g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	225.669g/mol
Monoisotopic Mass	225.077g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	78.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

Lot Number