AG00ILR3

52615-97-1 | H-Asp(Obzl)-OtBu.HCl

AG00ILR3

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CAS Number	52615-97-1
Catalog Number	AG00ILR3(AGN-PC-0WAMN9)
Chemical Name	H-Asp(Obzl)-OtBu.HCl
IUPAC Name	4-O-benzyl 1-O-tert-butyl (2S)-2-aminobutanedioate;hydrochloride
InChI	InChI=1S/C15H21NO4.ClH/c1-15(2,3)20-14(18)12(16)9-13(17)19-10-11-7-5-4-6-8-11;/h4-8,12H,9-10,16H2,1-3H3;1H/t12-;/m0./s1
InChI Key	YSDLFDMXCRFHTQ-YDALLXLXSA-N
MDL Number	MFCD00190761
Molecular Formula	C15H22ClNO4
Molecular Weight	315.7925
SMILES	O=C(OC(C)(C)C)[C@@H](N)CC(OCC1=CC=CC=C1)=O.[H]Cl
Synonyms	94347-11-2, H-Asp(Obzl)-OtBu.HCl, (S)-4-Benzyl 1-tert-butyl 2-aminosuccinate hydrochloride, 52615-97-1, MFCD00190761, L-Aspartic acid beta-benzyl ester alfa-t-butyl ester HCl, C15H21NO4.HCl, H-ASP(OBZL)-OTBU HCL, H-Asp(OBzl)-OtBu hydrochloride, CTK8B4261, KS-00000GCT, DTXSID30718545, ANW-44549, KM3279, AKOS015910094, CS-W022736, DS-17138, SC-70137, TC-133294, FT-0699247, ST24026602, V9419, I14-31160, (S)-4-BENZYL 1-TERT-BUTYL 2-AMINOSUCCINATE HCL, 4-Benzyl 1-tert-Butyl (S)-2-Aminosuccinate Hydrochloride, 4-Benzyl 1-tert-butyl L-aspartate--hydrogen chloride (1/1), L-Aspartic acid beta-benzyl ester alpha-tert-butyl ester hydrochloride, ACN-033096, H-Asp(OBzl)-OtBu.HCl, 99% - 5G 5g,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	315.124g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	315.794g/mol
Monoisotopic Mass	315.124g/mol
Rotatable Bond Count	8
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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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