AG0026SI

1791-13-5 | L-Aspartic acid, 1,4-bis(1,1-dimethylethyl) ester, hydrochloride (1:1)

AG0026SI

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CAS Number	1791-13-5
Catalog Number	AG0026SI(AGN-PC-0O52L1)
Chemical Name	L-Aspartic acid, 1,4-bis(1,1-dimethylethyl) ester, hydrochloride (1:1)
IUPAC Name	ditert-butyl (2S)-2-aminobutanedioate;hydrochloride
InChI	InChI=1S/C12H23NO4.ClH/c1-11(2,3)16-9(14)7-8(13)10(15)17-12(4,5)6;/h8H,7,13H2,1-6H3;1H/t8-;/m0./s1
InChI Key	GVLZIMQSYQDAHB-QRPNPIFTSA-N
MDL Number	MFCD00034851
Molecular Formula	C12H24ClNO4
Molecular Weight	281.7763
SMILES	Cl.C(C)(C)(C)OC([C@@H](N)CC(=O)OC(C)(C)C)=O
Synonyms	1791-13-5, H-Asp(OtBu)-OtBu.HCl, L-Aspartic acid di-tert-butyl ester hydrochloride, (S)-Di-tert-butyl 2-aminosuccinate hydrochloride, H-ASP(OTBU)-OTBU HCL, MFCD00034851, di-tert-butyl l-aspartate hydrochloride, L-Aspartic acid, bis(1,1-dimethylethyl) ester, hydrochloride, l-aspartic acid di-t-butyl ester hydrochloride, H-Asp(Obut)-Obut·Hcl, C12H24ClNO4, AK-41502, H-Asp(OtBu)-OtBuCl, PubChem18992, H-Asp(Obut)-Otbu HCl, KSC491O2N, SCHEMBL918665, H-Asp(Obut)-Obut hydrochloride, CTK3J1726, DTXSID30548925, GVLZIMQSYQDAHB-QRPNPIFTSA-N, KS-00000J0I, ANW-43366, CH-317, AKOS015847181, AKOS015909635, ACM1791135, CS-W014007, RTR-008220, AN-49898, AS-17656, SC-15808, AB0005498, AX8018947, DB-029947, TR-008220, A7119, AM20090059, D4422, FT-0627616, ST24036278, V1216, K-5491, (L)-Aspartic acid di-t-butyl ester hydrochloride, bis(1,1-dimethylethyl) L-aspartate hydrochloride, 791H135, C-45939, Di-tert-butyl L-aspartate--hydrogen chloride (1/1), ditert-butyl (2S)-2-aminobutanedioate hydrochloride, I14-3168, J-011428, H-Asp(OBut)-OBut inverted exclamation mark currencyHCl, (S)-1,4-di-tert-butoxy-1,4-dioxobutan-2-aminium chloride, L-Aspartic acid, 1,4-bis(1,1-dimethylethyl) ester, hydrochloride (1:1), H-Asp(OBut)-ObutHCL, h-d-asp(otbu)-otbu.hcl, A7126, L-Aspartic acid di-tert-butyl ester hydrochloride, 98% - 1G 1g, 135904-71-1,

Complexity	286
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	281.139g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	281.777g/mol
Monoisotopic Mass	281.139g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	78.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number