AG0010YX

132679-61-9 | Butanamide, 2-[(5-fluoro-2,4-dinitrophenyl)amino]-3-methyl-, (2S)-

AG0010YX

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CAS Number	132679-61-9
Catalog Number	AG0010YX(AGN-PC-0O12J1)
Chemical Name	Butanamide, 2-[(5-fluoro-2,4-dinitrophenyl)amino]-3-methyl-, (2S)-
IUPAC Name	(2S)-2-(5-fluoro-2,4-dinitroanilino)-3-methylbutanamide
InChI	InChI=1S/C11H13FN4O5/c1-5(2)10(11(13)17)14-7-3-6(12)8(15(18)19)4-9(7)16(20)21/h3-5,10,14H,1-2H3,(H2,13,17)/t10-/m0/s1
InChI Key	ZTFFRKNPAXXEBL-JTQLQIEISA-N
MDL Number	MFCD00155636
Molecular Formula	C11H13FN4O5
Molecular Weight	300.2431
SMILES	O=[N+](C1=CC([N+]([O-])=O)=C(C=C1N[C@@H](C(C)C)C(N)=O)F)[O-]
Synonyms	FDNP-Val-NH2, N-alpha-(5-fluoro-2,4-dinitrophenyl)-valine amide, N-alpha-(5-fluoro-2,4-dinitrophenyl)valinamide, Fdnp-val-nh2, 132679-61-9, N-(2,4-Dinitro-5-fluorophenyl)-L-valinamide, Nalpha-(2,4-Dinitro-5-fluorophenyl)-L-valinamide, N|A-(2,4-Dinitro-5-fluorophenyl)-L-valinamide, (S)-2-((5-Fluoro-2,4-dinitrophenyl)amino)-3-methylbutanamide, (S)-2-[(5-Fluoro-2,4-dinitrophenyl)amino]-3-methylbutanamide, AK327347, N~2~-(5-Fluoro-2,4-dinitrophenyl)-L-valinamide, SCHEMBL2700060, C11H13FN4O5, CTK8B2962, DTXSID80563340, KS-00000BB0, ZINC4521446, ANW-41477, Butanamide, 2-[(5-fluoro-2,4-dinitrophenyl)amino]-3-methyl-, (2S)-, MFCD00155636, AKOS015910120, AKOS024375398, DS-11955, RT-014775, FT-0643180, ST51016038, Z9656, B-7121, n2-(5-fluoro-2,4-dinitrophenyl)-l-valine amide, J-006205, I14-31172, (S)-2-(5-fluoro-2,4-dinitrophenylamino)-3-methylbutanamide, (2S)-2-[(5-fluoro-2,4-dinitrophenyl)amino]-3-methylbutanamide, Nalpha-(2,4-Dinitro-5-fluorophenyl)-L-valinamide, for chiral derivatization, >=98.0%, ACN-026429,

Complexity	422
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	300.087g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	300.246g/mol
Monoisotopic Mass	300.087g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	147A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

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