AG00131H

13726-67-5 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-

AG00131H

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CAS Number	13726-67-5
Catalog Number	AG00131H(AGN-PC-0WACN6)
Chemical Name	L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-
EC Number	237-294-7
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
InChI	InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1
InChI Key	KAJBMCZQVSQJDE-YFKPBYRVSA-N
MDL Number	MFCD00037279
Molecular Formula	C9H15NO6
Molecular Weight	233.2185
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC(O)=O
Synonyms	Boc-Asp-OH, 13726-67-5, N-(tert-Butoxycarbonyl)-L-aspartic acid, Boc-L-aspartic acid, Boc-L-Asp-OH, MFCD00037279, N-Boc-D-aspartic Acid, KAJBMCZQVSQJDE-YFKPBYRVSA-N, L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, N-Boc-L-aspartic Acid, (S)-2-(TERT-BUTOXYCARBONYLAMINO)SUCCINIC ACID, N-BOC-L-Aspartic acid, 99%, tert-Butoxycarbonyl-L-aspartic acid, Boc-aspartic acid, (2S)-2-[(tert-butoxy)carbonylamino]butanedioic acid, EINECS 237-294-7, N-Boc aspartic acid, PubChem12926, AC1Q5XNG, Boc-Asp-OH, 99%, KSC174S5R, CHEMBL17509, SCHEMBL688341, AC1L413F, CTK0H4958, KS-00000NII, ACT07189, KS-00000JK8, ZINC1731780, ANW-20223, N-t-butyloxycarbonyl-L-aspartic acid, SBB065838, tert-butyloxycarbonyl-L-aspartic acid, N-(t-butoxycarbonyl)-L-aspartic acid, AKOS015838040, AKOS015892632, AB01643, AM81588, ENC2372947, RTR-004965, AJ-31235, AK-51494, AS-12732, AB0005078, AB1006967, TL8006132, CS-0020432, FT-0629995, ST24046203, ST50306829, ([N-Tert-Butoxy Carbonyl]-L-Aspartic Acid), M-1793, M03267, N.alpha.-(tert-Butoxycarbonyl)-L-aspartic acid, 726B675, L-Asparticacid, N-[(1,1-dimethylethoxy)carbonyl]-, Q-101671, (2S)-2-[(tert-butoxycarbonyl)amino]butanedioic acid, Boc-Asp-OH; N-(tert-Butoxycarbonyl)-L-aspartic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}butanedioic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioicacid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid, Boc-D-Asp-OH, C9H15NO6, C9-H15-N-O6, CID99718, AR-1L5981, ACN-033046, N-Boc-L-aspartic acid, 98% - 1G 1g, N.alpha.-tert-Butyloxycarbonylaspartic acid, B2270, 62396-48-9, Aspartic acid, N-carboxy-, N-tert-butyl ester, L-, 13866-11-0, 204523-15-9, N-(tert-Butoxycarbonyl)aspartic acid; N-Boc-L-aspartic acid; N-tert-Butoxycarbonyl-L-aspartic acid,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	233.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	233.22g/mol
Monoisotopic Mass	233.09g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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

Lot Number