AG00395M

19673-14-4 | ETHYL 5-OXOAZEPANE-4-CARBOXYLATE HCL

AG00395M

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CAS Number	19673-14-4
Catalog Number	AG00395M(AGN-PC-0WAD7T)
Chemical Name	ETHYL 5-OXOAZEPANE-4-CARBOXYLATE HCL
IUPAC Name	ethyl 5-oxoazepane-4-carboxylate;hydrochloride
InChI	InChI=1S/C9H15NO3.ClH/c1-2-13-9(12)7-3-5-10-6-4-8(7)11;/h7,10H,2-6H2,1H3;1H
InChI Key	LRGIOVMOANWHIT-UHFFFAOYSA-N
MDL Number	MFCD17392855
Molecular Formula	C9H16ClNO3
Molecular Weight	221.6812
SMILES	O=C(C1CCNCCC1=O)OCC.[H]Cl
Synonyms	Ethyl 5-oxoazepane-4-carboxylate hydrochloride, 19673-14-4, AK162703, Hexahydro-5-oxo-1H-azepine-4-carboxylic acid ethyl ester hydrochloride, KS-00000SMP, MFCD17392855, Ethyl 5-oxoazepane-4-carboxylate HCl, AKOS024462498, CS-W001855, DS-7905, AX8294753, 5-Oxo-azepane-4-carboxylic acid ethyl ester hydrochloride,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.082g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.681g/mol
Monoisotopic Mass	221.082g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	1
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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