AG001X7S

167223-43-0 | D-tert-Leucine Methyl Ester Hydrochloride

AG001X7S

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CAS Number	167223-43-0
Catalog Number	AG001X7S(AGN-PC-0O4QSS)
Chemical Name	D-tert-Leucine Methyl Ester Hydrochloride
IUPAC Name	methyl (2R)-2-amino-3,3-dimethylbutanoate;hydrochloride
InChI	InChI=1S/C7H15NO2.ClH/c1-7(2,3)5(8)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m0./s1
InChI Key	HRTQWUHFSXVRPY-JEDNCBNOSA-N
MDL Number	MFCD00154107
Molecular Formula	C7H16ClNO2
Molecular Weight	181.6604
SMILES	N[C@H](C(C)(C)C)C(OC)=O.[H]Cl
Synonyms	H-D-Tle-OMe.HCl, 167223-43-0, (R)-Methyl 2-amino-3,3-dimethylbutanoate HCl, (R)-Methyl 2-aMino-3,3-diMethylbutanoate hydrochloride, D-tert-Leucine Methyl Ester HCl, CS-M2606, KS-00000AB5, CL-025, MFCD11113177, D-tert-LeucineMethylEsterHydrochloride, AKOS025401860, d-t-leucine methyl ester hydrochloride, AC-26420, AS-47028, 3-Methyl-D-valine methyl ester hydrochloride, FT-0697797, D-Valine, 3-methyl-,methyl ester (hydrochloride), methyl (R)-2-amino-3,3-dimethylbutanoate hydrochloride, D-Valine, 3-methyl-, methyl ester, hydrochloride (1:1), HRTQWUHFSXVRPY-JEDNCBNOSA-N, ACN-033875, D-tert-Leucine Methyl Ester Hydrochloride, L-tert-Leucine methyl ester hydrochloride, H-D-TLe-OMe inverted exclamation mark currencyHCl, 112245-08-6, 63038-27-7,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	181.087g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	181.66g/mol
Monoisotopic Mass	181.087g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^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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