AG003A41

34582-30-4 | (S)-1-tert-Butyl 4-methyl 2-aminosuccinate hydrochloride

AG003A41

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CAS Number	34582-30-4
Catalog Number	AG003A41(AGN-PC-0O95K2)
Chemical Name	(S)-1-tert-Butyl 4-methyl 2-aminosuccinate hydrochloride
IUPAC Name	1-O-tert-butyl 4-O-methyl (2S)-2-aminobutanedioate;hydrochloride
InChI	InChI=1S/C9H17NO4.ClH/c1-9(2,3)14-8(12)6(10)5-7(11)13-4;/h6H,5,10H2,1-4H3;1H/t6-;/m0./s1
InChI Key	FGBVDHWVRGDHRV-RGMNGODLSA-N
MDL Number	MFCD05662354
Molecular Formula	C9H18ClNO4
Molecular Weight	239.6965
SMILES	O=C(OC(C)(C)C)[C@@H](N)CC(OC)=O.[H]Cl
Synonyms	(S)-1-tert-Butyl 4-methyl 2-aminosuccinate hydrochloride, 34582-30-4, AK110614, (S)-1-tert-Butyl4-methyl2-aminosuccinatehydrochloride, SCHEMBL14656788, DTXSID40855733, BCP26119, KS-00000QS5, 4182AB, MFCD05662354, AKOS016008774, CS-W006467, DS-4650, AX8240718, FT-0689666, ST24035764, 1-(tert-butyl) 4-methyl L-aspartate hydrochloride, 1-tert-Butyl 4-methyl L-aspartate--hydrogen chloride, 1-tert-butyl 4-methyl (2S)-2-aminobutanedioate hydrochloride, 1-tert-Butyl 4-methyl L-aspartate--hydrogen chloride (1/1), C9H18ClNO4,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	239.092g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	239.696g/mol
Monoisotopic Mass	239.092g/mol
Rotatable Bond Count	6
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