AG007N5I

135904-71-1 | H-D-Asp(OtBu)-OtBu · HCl

AG007N5I

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CAS Number	135904-71-1
Catalog Number	AG007N5I(AGN-PC-0O191B)
Chemical Name	H-D-Asp(OtBu)-OtBu · HCl
IUPAC Name	ditert-butyl (2R)-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-;/m1./s1
InChI Key	GVLZIMQSYQDAHB-DDWIOCJRSA-N
MDL Number	MFCD09263345
Molecular Formula	C12H24ClNO4
Molecular Weight	281.7763
SMILES	O=C(OC(C)(C)C)[C@H](N)CC(OC(C)(C)C)=O.[H]Cl
Synonyms	135904-71-1, (R)-Di-tert-butyl 2-aminosuccinate hydrochloride, h-d-asp(otbu)-otbu.hcl, (R)-DI-TERT-BUTYL 2-AMINOSUCCINATE HCL, C12H24ClNO4, AK-81074, CTK8B8581, KS-00000PUS, DTXSID60692804, H-D-Asp(tBu)-OtBu Hydrochloride, ANW-60743, MFCD09263345, DS-16110, AB0069417, AX8227661, RT-013192, FT-0697602, ST24020752, Z4114, M-8497, D-Aspartic acid 1,4-di-t-butyl ester hydrochloride, Di-tert-butyl D-aspartate--hydrogen chloride (1/1), ditert-butyl (2S)-2-aminobutanedioate,hydrochloride, D-Aspartic acid 1,4-di-tert-butyl ester hydrochloride, H-ASP(OTBU)-OTBU HCL, ACN-033090, 1791-13-5,

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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number