AG002D3T

200936-87-4 | L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrate (1:1)

AG002D3T

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CAS Number	200936-87-4
Catalog Number	AG002D3T(AGN-PC-0O72D7)
Chemical Name	L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrate (1:1)
IUPAC Name	(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
InChI	InChI=1S/C11H21NO4.H2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t8-;/m0./s1
InChI Key	URQQEIOTRWJXBA-QRPNPIFTSA-N
MDL Number	MFCD00066067
Molecular Formula	C11H23NO5
Molecular Weight	249.3040
SMILES	CC(C)C[C@H](NC(OC(C)(C)C)=O)C(O)=O.[H]O[H]
Synonyms	200936-87-4, BOC-LEU-OH H2O, Boc-L-Leucine monohydrate, (S)-2-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid hydrate, N-Boc-L-leucine hydrate, Boc-Leu-OH.H2O, Boc-L-Leucine hydrate, L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, monohydrate, Boc-Leu-OH Hydrate, N-(tert-Butoxycarbonyl)-L-leucine monohydrate, boc-leucine-hydrate, AK-45997, C11H23NO5, Boc-L-leucine H2O, Boc-Leu-OH-H2O, Boc-Leu-OHA.H2O, (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoic acid hydrate, boc-leucine monohydrate, Boc-Leu-OH monohydrate, N-Boc-L-leucineHydrate, N-Boc leucine monohydrate, SCHEMBL645995, CHEMBL1222168, CTK6A4211, KS-00000ACJ, t-butoxycarbonyl-l-leucine hydrate, URQQEIOTRWJXBA-QRPNPIFTSA-N, MFCD00065582, AKOS015923284, AM81873, (tert-butoxycarbonyl)-L-leucine hydrate, tert-butoxycarbonyl-L-leucine monohydrate, BR-45997, DS-13751, TL806181, N-(tert-butoxycarbonyl)-L-leucine hydrate, N-t-butyloxycarbonyl-L-leucine monohydrate, AX8008523, N-tert-Butoxycarbonyl-L-leucine monohydrate, ST2402762, TC-164462, N-(tert-butoxycabonyl)-L-leucine monohydrate, N-t-butoxycarbonyl-(L)-leucine mono-hydrate, W4246, M03295, N-alpha-t-Butyloxycarbonyl-L-leucine monohydrate, L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrate (1:1), Leucine,N-[(1,1-dimethylethoxy)carbonyl]-, monohydrate (9CI), (2S)-2-[(tert-butoxycarbonyl)amino]-4-methylpentanoic acid hydrate, (S)-2-(tert-butoxycarbonylamino)-4-methylpentanoic acid hydrate, Boc-Leu-OH, Boc-Leu-OHH2O, Fmoc-Arg(Mtr)-OH, tert-Butoxycarbonylleucine, tert-Butyloxycarbonylleucine, N-tert-Butoxycarbonylleucine, tert-Butoxycarbonyl-L-leucine, tert-Butyloxycarbonyl-L-leucine, C11H21NO4, N-tert-Butyloxycarbonyl-L-leucine, N-(tert-Butoxycarbonyl)-L-leucine, EINECS 236-073-2, C11-H21-N-O4, CB10574, NSC 108690, 13139-15-6, N-((1,1-Dimethylethoxy)carbonyl)-L-leucine, N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine, Boc-L-leucine monohydrate, 99% - 25G 25g, L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-, L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, Leucine, N-carboxy-, N-tert-butyl ester, L-, Boc-Leu-OH inverted exclamation mark currencyH2O, 98930-01-9, L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, monohydrate (9CI), 200937-21-9,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	249.158g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	249.307g/mol
Monoisotopic Mass	249.158g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	76.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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