AG004BCH

887590-25-2 | tert-Butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate

AG004BCH

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CAS Number	887590-25-2
Catalog Number	AG004BCH(AGN-PC-0156AF)
Chemical Name	tert-Butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate
IUPAC Name	tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate
InChI	InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-9-8-14-10-6-4-5-7-11(10)15/h4-7,14H,8-9H2,1-3H3
InChI Key	DXXFPGTUHSMYSG-UHFFFAOYSA-N
MDL Number	MFCD06656598
Molecular Formula	C13H18N2O2
Molecular Weight	234.2942
SMILES	O=C(N1CCNC2=C1C=CC=C2)OC(C)(C)C
Synonyms	887590-25-2, tert-Butyl 3,4-dihydroquinoxaline-1(2H)-carboxylate, 3,4-Dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester, tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate, tert-butyl 1,2,3,4-tetrahydroquinoxaline-1-carboxylate, SCHEMBL975814, CTK5G1673, DTXSID70587575, DXXFPGTUHSMYSG-UHFFFAOYSA-N, 4607AC, ANW-52531, BBL103473, MFCD06656598, STL557283, ZINC12357066, AKOS005256040, GL-0787, MCULE-7734601588, KS-00001P60, AJ-61277, AK-76624, DA-40799, DS-16728, SC-12247, TR-027937, FT-0752736, D57139, X-4492, 3,4-dihydro-2h-quinoxaline-1-carboxylic acid tert-, S14-2177, tert-butyl1,2,3,4-tetrahydroquinoxaline-1-carboxylate, F2163-0149, Z2160887329, 1(2H)-Quinoxalinecarboxylicacid, 3,4-dihydro-, 1,1-dimethylethyl ester, 3,4-Dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester, AldrichCPR, C13H18N2O2,

Complexity	286
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.137g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.299g/mol
Monoisotopic Mass	234.137g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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