AG0022S7

181289-15-6 | Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-

AG0022S7

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CAS Number	181289-15-6
Catalog Number	AG0022S7(AGN-PC-03VPD0)
Chemical Name	Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-
EC Number	605-922-2
IUPAC Name	3-(2-amino-2-oxoethyl)-5-methylhexanoic acid
InChI	InChI=1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)
InChI Key	NPDKTSLVWGFPQG-UHFFFAOYSA-N
MDL Number	MFCD08457698
Molecular Formula	C9H17NO3
Molecular Weight	187.2362
SMILES	CC(C)CC(CC(N)=O)CC(O)=O
Synonyms	181289-15-6, 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid, 3-Carbamoymethyl-5-methylhexanoic acid, 3-(Carbamoylmethyl)-5-methylhexanoic acid, Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, AK-49513, ( inverted exclamation markA)-3-(Carbamoymethyl)-5-methylhexanoic acid, A1-00280, AK-26958, pregabalin intermediate, 3-carbamoymethyl-5-m, PubChem15303, rac-Pregabalin Impurity III, KSC914K6J, SCHEMBL664076, Jsp003715, CTK8B4564, DTXSID60446389, NPDKTSLVWGFPQG-UHFFFAOYSA-N, BCP14082, KS-00000J0O, ANW-45484, CC-045, MFCD08457698, AKOS006289231, AC-7772, AM84634, AN-8650, 3-carbamoylmethyl-5-methyl-hexanoic acid, ()-3-(amiomethyl)-5-methylhexanoic acid, AS-15327, AT-16053, BC225478, O883, SC-27841, SY046614, 3-(carbamoylmethyi-5-methyl hexanoic acid, AB0016698, AX8018969, RT-002981, (2-amino-2-oxoethyl)-5-methylhexanoic acid, FT-0082878, FT-0651253, ST24028271, MFCD09028111 (95%), 3-(2-amino-2-oxoethyl)-5-methyl-hexanoic acid, (+/-)-3-(Carbamoylmethyl)-5-methylhexanoic acid, 289C156, 3-(2-amino-2-oxo-ethyl)-5-methyl-hexanoic acid, A812604, 3-carbamoymethyl-5-methylhexanoic acid (pregabalin), I14-1018, I14-1093, 3-(2-azanyl-2-oxidanylidene-ethyl)-5-methyl-hexanoic acid, ( inverted exclamation markA)-3-(carbamoylmethyl)-5-methylhexanoic acid, 3-iso-butyl-glutaric, C9H17NO3, ACN-039912, (R)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid, CID10867083, 3-(carbamoylmethyl)-5-methyl-hexanoic Acid, 3-(2-Amino-2-oxoethyl)-5-methylhexanoicacid, R-(-)-3-(Carbamoylmethyl)-5-methylhexanoic acid, 181289-33-8, (3S)-3-(2-Amino-2-oxo-ethyl)-5-methyl-hexanoic acid,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.121g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.239g/mol
Monoisotopic Mass	187.121g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	80.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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