AG002XVT

29262-57-5 | Acetic acid, 2-[(1-methylethyl)amino]-2-oxo-

AG002XVT

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CAS Number	29262-57-5
Catalog Number	AG002XVT(AGN-PC-0LXBTW)
Chemical Name	Acetic acid, 2-[(1-methylethyl)amino]-2-oxo-
IUPAC Name	2-oxo-2-(propan-2-ylamino)acetic acid
InChI	InChI=1S/C5H9NO3/c1-3(2)6-4(7)5(8)9/h3H,1-2H3,(H,6,7)(H,8,9)
InChI Key	KBMFHCMLHQGQEB-UHFFFAOYSA-N
MDL Number	MFCD06740186
Molecular Formula	C5H9NO3
Molecular Weight	131.1299
SMILES	O=C(O)C(NC(C)C)=O
Synonyms	29262-57-5, 2-(Isopropylamino)-2-oxoacetic acid, (isopropylamino)(oxo)acetic acid, oxo(propan-2-ylamino)acetic acid, N-isopropyloxamic acid, 2-oxo-2-(propan-2-ylamino)acetic acid, 40E, N-Isopropyloxamidic acid, AC1OHA0F, N-Isopropyl-oxalamic acid, SCHEMBL584224, (isopropylcarbamoyl)formic acid, CTK4G3026, DTXSID20428368, KBMFHCMLHQGQEB-UHFFFAOYSA-N, ALBB-009504, ZINC4312755, BBL000516, MFCD06740186, STK499896, AKOS005172207, MCULE-3351257571, Acetic acid, [(1-methylethyl)amino]oxo-, AJ-50549, SY026403, AB0154983, TR-012770, FT-0679580, MFCD06740186 (95%), Acetic acid,2-[(1-methylethyl)amino]-2-oxo-, Y-2457, Acetic acid, 2-[(1-methylethyl)amino]-2-oxo-, I04-3987, Propan-2-ylcarbamoylformic Acid, CID7183008,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.058g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	131.131g/mol
Monoisotopic Mass	131.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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