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Record Information
Version	2.0
Creation Date	2012-08-09 09:25:18 -0600
Update Date	2015-06-03 17:21:43 -0600
Secondary Accession Numbers	ECMDB21528
Identification
Name:	Ethoxyamine
Description	Ethoxyamine is a member of the chemical class known as Carbonyl Imides. These are organic compounds containing a carbonyl imide group (a carbon atom linked through a double bond to an oxygen atom, which is in turn linked to a nitrogen atom).
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xab3d4ba8> Close
Synonyms:	O-Ethylhydroxylamine
Chemical Formula:	C2H8ClNO
Weight:	Average: 97.544 Monoisotopic: 97.02944159
InChI Key:	NUXCOKIYARRTDC-UHFFFAOYSA-N
InChI:	InChI=1S/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H
CAS number:	188720-08-3
IUPAC Name:	O-ethylhydroxylamine hydrochloride
Traditional IUPAC Name:	O-ethylhydroxylamine hydrochloride
SMILES:	Cl.CCON
Chemical Taxonomy
Description	belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen atom.
Kingdom	Organic compounds
Super Class	Organic oxygen compounds
Class	Organooxygen compounds
Sub Class	Not Available
Direct Parent	Organooxygen compounds
Alternative Parents	Organic nitrogen compounds Hydrochlorides Hydrocarbon derivatives
Substituents	Organic nitrogen compound Hydrocarbon derivative Hydrochloride Organooxygen compound Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	Not Available
Physical Properties
State:	Not Available
Charge:	0
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source logP -0.0057 ChemAxon pKa (Strongest Basic) 4.4 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 2 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 35.25 Ų ChemAxon Rotatable Bond Count 1 ChemAxon Refractivity 17.08 m³·mol⁻¹ ChemAxon Polarizability 6.68 ų ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:
SMPDB Pathways:	Not Available
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-0002-9000000000-84e04b90d26b2d5da895 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-0002-9000000000-84e04b90d26b2d5da895 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0002-9000000000-84e04b90d26b2d5da895 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0002-9000000000-3275e0a82587575922af View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0002-9000000000-3275e0a82587575922af View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-0002-9000000000-3275e0a82587575922af View in MoNA
References
References:	van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID Not Available HMDB ID Not Available Pubchem Compound ID 76850 Kegg ID Not Available ChemSpider ID 69303 Wikipedia ID Not Available BioCyc ID Not Available