AG0034PV

102831-44-7 | Diethyl (Boc-amino)malonate

AG0034PV

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CAS Number	102831-44-7
Catalog Number	AG0034PV(AGN-PC-0JPXRP)
Chemical Name	Diethyl (Boc-amino)malonate
IUPAC Name	diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
InChI	InChI=1S/C12H21NO6/c1-6-17-9(14)8(10(15)18-7-2)13-11(16)19-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16)
InChI Key	ULRLHEXGRUWQLQ-UHFFFAOYSA-N
MDL Number	MFCD00239423
Molecular Formula	C12H21NO6
Molecular Weight	275.2982
NSC Number	669676
SMILES	C(=O)(OC(C)(C)C)NC(C(=O)OCC)C(=O)OCC
UNII	7V4Q8E9WWJ
Synonyms	102831-44-7, Diethyl (Boc-amino)malonate, Diethyl 2-(tert-butoxycarbonylamino)malonate, Diethyl 2-((tert-butoxycarbonyl)amino)malonate, UNII-7V4Q8E9WWJ, 7V4Q8E9WWJ, Diethyl 2-[(tert-butoxycarbonyl)amino]malonate, ULRLHEXGRUWQLQ-UHFFFAOYSA-N, NSC669676, AK-28107, Diethyl [(tert-butoxycarbonyl)amino]malonate, diethyl 2-(tert-butoxycarbonylamino)propanedioate, Diethyl 2-(N-(tert-butoxycarbonyl)amino)malonate, Diethyl 2-[N-(tert-butoxycarbonyl)amino]malonate, diethyl 2-[(tert-butoxy)carbonylamino]propane-1,3-dioate, NSC 669676, diethyl[(tert-butoxycarbonyl)amino]malonate, AC1Q5XQC, AC1Q5XQD, ACMC-1C8QL, Diethyl(Boc-amino)malonate, AC1L8IV1, SCHEMBL561366, CHEMBL1964720, CTK4A1531, DTXSID30145534, Diethyl (Boc-amino)malonate, 97%, diethyl t-butoxycarbonylaminomalonate, KS-00000V8O, ZINC1643441, ZX-AT024039, 6609AH, MFCD00239423, SBB057726, AKOS009158314, diethyl N-t-butoxycarbonylaminomalonate, CS-W010083, MCULE-7769660561, NSC-669676, OR22746, TRA0050096, Diethyl(tert-butoxycarbonyl)aminomalonate, Diethyl (t-butyloxycarbonyl)aminomalonate, diethyl 2-(tert-butoxyformamido)malonate, diethyl 2-t-butyloxycarbonylaminomalonate, AJ-28650, BBV-27029816, CJ-26528, DS-11229, NCI60_024337, AX8124514, DB-058868, RT-012325, diethyl-2-(tert-butoxycarbonylamino)malonate, FT-0647943, ST24046538, ST51006918, diethyl[(tert-butoxycarbonyl)amino]propanedioate, Diethyl 2-[(tert-butoxycarbonyl)amino]malonate #, (tert-Butoxycarbonylamino)malonic acid diethyl ester, 1,3-diethyl 2-[(tert-butoxycarbonyl)amino]propanedioate, 1,3-diethyl 2-{[(tert-butoxy)carbonyl]amino}propanedioate, 2-[N-(tert-butoxycarbonyl)amino]malonic acid diethyl ester, diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate, Propanedioic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,3-diethyl ester, Propanedioic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-,1,3-diethyl ester, C12H21NO6, AR-1I5074, CID382219, Diethyl2-(tert-butoxycarbonylamino)malonate, 102916-66-5,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.137g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	275.301g/mol
Monoisotopic Mass	275.137g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	90.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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