AG00IA3I

56598-98-2 | 1,3-Diethyl 2-(methylamino)propanedioate hydrochloride

AG00IA3I

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CAS Number	56598-98-2
Catalog Number	AG00IA3I(AGN-PC-0SLZUY)
Chemical Name	1,3-Diethyl 2-(methylamino)propanedioate hydrochloride
IUPAC Name	diethyl 2-(methylamino)propanedioate;hydrochloride
InChI	InChI=1S/C8H15NO4.ClH/c1-4-12-7(10)6(9-3)8(11)13-5-2;/h6,9H,4-5H2,1-3H3;1H
InChI Key	UEDQOJWGNGPGCS-UHFFFAOYSA-N
MDL Number	MFCD28954256
Molecular Formula	C8H16ClNO4
Molecular Weight	225.6699
NSC Number	207867
SMILES	Cl.CCOC(C(C(OCC)=O)NC)=O
Synonyms	Diethyl 2-(methylamino)malonate hydrochloride, 56598-98-2, 1,3-diethyl 2-(methylamino)propanedioate hydrochloride, AGN-PC-0NI2FV, KS-00000TAS, DTXSID40480266, MFCD28954256, NSC207867, AKOS026670191, DS-9894, NSC-207867, AK188536, Z2182115430, PROPANEDIOIC ACID,2-(METHYLAMINO)-, 1,3-DIETHYL ESTER, HYDROCHLORIDE (1:1),

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
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	64.6A^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

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