AG0058XJ

80638-53-5 | (sec-butylamino)(oxo)acetic acid

AG0058XJ

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CAS Number	80638-53-5
Catalog Number	AG0058XJ(AGN-PC-0WB3YZ)
Chemical Name	(sec-butylamino)(oxo)acetic acid
IUPAC Name	2-(butan-2-ylamino)-2-oxoacetic acid
InChI	InChI=1S/C6H11NO3/c1-3-4(2)7-5(8)6(9)10/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
InChI Key	VARKFMHUVKZOHE-UHFFFAOYSA-N
MDL Number	MFCD09971254
Molecular Formula	C6H11NO3
Molecular Weight	145.1564
SMILES	C(=O)(NC(C)CC)C(O)=O
Synonyms	(sec-butylamino)(oxo)acetic acid, 80638-53-5, 2-(sec-Butylamino)-2-oxoacetic acid, (butan-2-ylamino)(oxo)acetic acid, Oxamic Acid/Ester, 31, BDBM93313, CTK5E7959, DTXSID20583002, [(sec-butyl)carbamoyl]formic acid, ALBB-009524, BBL000518, MFCD09971254, STK499907, [(Butan-2-yl)amino](oxo)acetic acid, AKOS005172240, MCULE-6488437367, acetic acid, [(1-methylpropyl)amino]oxo-, AB0154999, TR-025479, FT-0679596, Y-6159, I04-3994, aceticacid,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.074g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	145.158g/mol
Monoisotopic Mass	145.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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