AG0022QX

181228-33-1 | L-Alanine, 3-amino-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, hydrochloride (1:1)

AG0022QX

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CAS Number	181228-33-1
Catalog Number	AG0022QX(AGN-PC-0WA317)
Chemical Name	L-Alanine, 3-amino-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, hydrochloride (1:1)
IUPAC Name	methyl (2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
InChI	InChI=1S/C9H18N2O4.ClH/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4;/h6H,5,10H2,1-4H3,(H,11,13);1H/t6-;/m0./s1
InChI Key	IKRXWXBVGWAKNK-RGMNGODLSA-N
MDL Number	MFCD04973085
Molecular Formula	C9H19ClN2O4
Molecular Weight	254.7112
SMILES	O=C(OC)[C@@H](NC(OC(C)(C)C)=O)CN.[H]Cl
Synonyms	181228-33-1, (S)-Methyl 3-amino-2-((tert-butoxycarbonyl)amino)propanoate hydrochloride, (S)-METHYL 3-AMINO-2-((TERT-BUTOXYCARBONYL)AMINO)PROPANOATE HCL, AK106978, BOC-DAP-OME HCL, SCHEMBL1770994, KS-00000QQJ, DTXSID60856186, IKRXWXBVGWAKNK-RGMNGODLSA-N, MFCD04973085, CS-W006152, DS-3573, MP-0980, AT-36122, AB0069429, AX8239515, ST24020863, Z4316, methyl 3-amino-N-(tert-butoxycarbonyl)-L-alaninate hydrochloride, methyl (S)-3-amino-2-((tert-butoxycarbonyl)amino)propanoate hydrochloride, (2S)-3-amino-2-{[(tert-butoxy)carbonyl]amino}propanoic acid methylester hydrochloride, (S)-3-amino-2-tert-butoxycarbonylamino-propionic acid methyl ester hydrochloride, L-Alanine, 3-amino-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, hydrochloride (1:1), Methyl 3-amino-N-(tert-butoxycarbonyl)-L-alaninate--hydrogen chloride (1/1), N-alpha-t-Butoxycarbonyl-L-alpha-ss-diaminopropionic acid-alphamethylester hydrochloride, C9H19ClN2O4, ACN-055137, (S)-Methyl3-amino-2-((tert-butoxycarbonyl)amino)propanoatehydrochloride, Methyl 3-amino-2-((tert-butoxycarbonyl)amino)propanoate hydrochloride, 97% - 1G 1g,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	254.103g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	254.711g/mol
Monoisotopic Mass	254.103g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	90.6A^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

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