AG003RDJ

33645-24-8 | L-Threonine benzyl ester HCl

AG003RDJ

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CAS Number	33645-24-8
Catalog Number	AG003RDJ(AGN-PC-0O921Z)
Chemical Name	L-Threonine benzyl ester HCl
IUPAC Name	benzyl (2S,3R)-2-amino-3-hydroxybutanoate;hydrochloride
InChI	InChI=1S/C11H15NO3.ClH/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9;/h2-6,8,10,13H,7,12H2,1H3;1H/t8-,10+;/m1./s1
InChI Key	IDZGTFSDZJVMSD-SCYNACPDSA-N
MDL Number	MFCD00038977
Molecular Formula	C11H16ClNO3
Molecular Weight	245.7026
SMILES	C[C@@H](O)[C@H](N)C(OCC1=CC=CC=C1)=O.[H]Cl
Synonyms	33645-24-8, H-Thr-OBzl.HCl, (2S,3R)-Benzyl 2-amino-3-hydroxybutanoate hydrochloride, L-Threonine Benzyl Ester Hydrochloride, L-Threonine, phenylmethyl ester, hydrochloride, L-Threonine Benzyl Ester HCL, AK119675, H-Thr-OBzl. HCl, Benzyl L-threoninate--hydrogen chloride (1/1), L-threonine benzyl ester.HCl, SCHEMBL17389326, CTK4H1018, DTXSID20584170, IDZGTFSDZJVMSD-SCYNACPDSA-N, KS-00000R1W, 3950AB, ANW-27673, MFCD00038977, AKOS015847111, AKOS016010673, CS-W005883, DS-5711, AX8245091, TR-036525, FT-0698274, ST24034099, benzyl (2S,3R)-2-amino-3-hydroxybutanoate,hydrochloride, C11H16ClNO3, ACN-033612, T2677, (2S,3R)-Benzyl2-amino-3-hydroxybutanoatehydrochloride,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	245.082g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	245.703g/mol
Monoisotopic Mass	245.082g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.6A^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