AG002EWN

190900-21-1 | 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1-dimethylethyl ester

AG002EWN

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CAS Number	190900-21-1
Catalog Number	AG002EWN(AGN-PC-03RB6A)
Chemical Name	1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 5-oxo-1,4-diazepane-1-carboxylate
InChI	InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13)
InChI Key	GLJYPTWEXBUATJ-UHFFFAOYSA-N
MDL Number	MFCD04115319
Molecular Formula	C10H18N2O3
Molecular Weight	214.2615
SMILES	C(C)(C)(C)OC(=O)N1CCC(NCC1)=O
Synonyms	190900-21-1, tert-butyl 5-oxo-1,4-diazepane-1-carboxylate, 5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester, 1-n-boc-5-oxo-1,4-diazepane, 1-Boc-1,4-diazepan-5-one, 1-BOC-5-OXO-[1,4]DIAZEPANE, 1H-1,4-Diazepine-1-carboxylicacid, hexahydro-5-oxo-, 1,1-dimethylethyl ester, KSC540K3J, SCHEMBL327562, 5-Oxo-[1,4]diazepane-1-carboxylicacidtert-butylester, AMOT0283, n1-boc-5-oxo-1,4-diazepane, CTK4E0534, DTXSID00626981, GLJYPTWEXBUATJ-UHFFFAOYSA-N, ACT01804, ALBB-010144, ZINC2527480, ANW-50790, BBL104431, MFCD04115319, STK506241, AKOS004910705, ACN-039411, CB-1020, CS-W004238, GS-4280, MCULE-4832130483, RP26817, RTR-008854, TRA0093866, AC-26734, AJ-38056, AK-25544, AN-16548, BR-25544, CJ-08967, EN002472, SY020420, AB0023107, TL8001561, TR-008854, 4CH-000744, AM20090116, BB 0260511, FT-0649570, ST24031839, W4101, S-3596, tert-butyl 5-oxo-[1,4]diazepan-1-carboxylate, tert-butyl-5-oxo-1,4-diazepane-1-carboxylate, MFCD04115319 (95+%), 245O765, A1-00370, I14-7510, I14-8871, J-517899, 5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butylester, 5-Oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester, 1-(tert-butoxycarbonyl)hexahydro-(5H)-1,4-diazepin-5-one, 1h-1,4-diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1-, 1,1-dimethylethyl hexahydro-5-oxo-1H-1,4-diazepine-1-carboxylate, 5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester, AldrichCPR, 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1-dimethylethyl ester, n-(m-aminophenyl)aniline, C10H18N2O3, A4210, 208245-76-5,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.132g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.265g/mol
Monoisotopic Mass	214.132g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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