AG006XBL

50632-83-2 | 4-(2,2,2-Trifluoroacetamido)butanoic acid

AG006XBL

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CAS Number	50632-83-2
Catalog Number	AG006XBL(AGN-PC-0JONWU)
Chemical Name	4-(2,2,2-Trifluoroacetamido)butanoic acid
IUPAC Name	4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
InChI	InChI=1S/C6H8F3NO3/c7-6(8,9)5(13)10-3-1-2-4(11)12/h1-3H2,(H,10,13)(H,11,12)
InChI Key	KTYYDHOWWCVUQJ-UHFFFAOYSA-N
MDL Number	MFCD00130210
Molecular Formula	C6H8F3NO3
Molecular Weight	199.1278
NSC Number	192718
SMILES	O=C(O)CCCNC(C(F)(F)F)=O
Synonyms	4-(2,2,2-Trifluoroacetamido)butanoic acid, 50632-83-2, 4-[(2,2,2-trifluoroacetyl)amino]butanoic acid, NSC192718, 4-[(trifluoroacetyl)amino]butanoic acid, AC1L732R, SCHEMBL6283124, CTK1H2878, KS-00000PTL, DTXSID90307555, 4-(trifluoroacetamido)butanoic acid, ZINC1732852, 4-(Trifluoroacetylamino)butyric acid, ANW-45872, MFCD00130210, AKOS005215956, DS-1866, MCULE-3053133906, NSC-192718, AJ-31267, AK-88611, DA-17727, AB0025173, N-(Trifluoroacetyl)-gamma-aminobutyric acid, TC-134617, 4CH-011554, FT-0766460, ST24023105, W6589, 4-(2,2,2-Trifluoro-acetylamino)-butyric acid, M-8448, C6H8F3NO3, CID303592,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.046g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	199.129g/mol
Monoisotopic Mass	199.046g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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