AG00C805

3350-15-0 | H-DAB(BOC)-OME HCL

AG00C805

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CAS Number	3350-15-0
Catalog Number	AG00C805(AGN-PC-0R8ZXB)
Chemical Name	H-DAB(BOC)-OME HCL
IUPAC Name	methyl (2S)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;hydrochloride
InChI	InChI=1S/C10H20N2O4.ClH/c1-10(2,3)16-9(14)12-6-5-7(11)8(13)15-4;/h7H,5-6,11H2,1-4H3,(H,12,14);1H/t7-;/m0./s1
InChI Key	XETISTBVDHNRBD-FJXQXJEOSA-N
MDL Number	MFCD00798680
Molecular Formula	C10H21ClN2O4
Molecular Weight	268.7377
SMILES	O=C(OC)[C@@H](N)CCNC(OC(C)(C)C)=O.[H]Cl
Synonyms	3350-15-0, H-DAB(BOC)-OME HCL, (S)-Methyl 2-amino-4-((tert-butoxycarbonyl)amino)butanoate hydrochloride, Boc-L-2,4-diaminobutyric acid methyl ester hydrochloride, AK-61259, L-Dab(Boc)-OMe HCl, H-Dab(Boc)-OMe . HCl, H-DAB(BOC)-OME.HCL, N'-Boc-L-2,4-diaminobutyric acid methyl ester hydrochloride, SCHEMBL134174, CTK8B3446, DTXSID80647775, N-gamma-(t-Butyloxycarbonyl)-L-2,4-diaminobutyric acid methyl ester hydrochloride, XETISTBVDHNRBD-FJXQXJEOSA-N, BCP09551, KS-00000HG9, ANW-42535, MFCD00798680, AKOS015901095, ACM3350150, CS-W005561, DS-2414, SC-24293, H-Dab(Boc)-OMe hydrochloride, AldrichCPR, AX8158599, TC-131280, FT-0649630, ST24036328, K-7719, 350H150, I14-15348, (S)-Methyl 2-amino-4-((tert-butoxycarbonyl)amino)butanoate HCl, (S)-Methyl 2-amino-4-((tert-butoxycarbonyl)-amino)butanoate hydrochloride, methyl (2S)-2-amino-4-[(tert-butoxycarbonyl)amino]butanoate hydrochloride, Methyl (2S)-2-amino-4-[(tert-butoxycarbonyl)amino]butanoate--hydrogen chloride (1/1), methyl (2S)-2-amino-4-{[(tert-butoxy)carbonyl]amino}butanoate hydrochloride, methyl(2S)-2-amino-4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)butanoate hydrochloride, H-DAB -OMEHCL,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	268.119g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	268.738g/mol
Monoisotopic Mass	268.119g/mol
Rotatable Bond Count	7
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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