AG001J2L

144186-11-8 | Methyl 6-[(tert-butoxycarbonyl)amino]nicotinate

AG001J2L

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CAS Number	144186-11-8
Catalog Number	AG001J2L(AGN-PC-0KKQ2F)
Chemical Name	Methyl 6-[(tert-butoxycarbonyl)amino]nicotinate
IUPAC Name	methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
InChI	InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-6-5-8(7-13-9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16)
InChI Key	KHMRKCRGUHPQLA-UHFFFAOYSA-N
MDL Number	MFCD05663797
Molecular Formula	C12H16N2O4
Molecular Weight	252.2664
SMILES	O=C(OC)C1=CN=C(NC(OC(C)(C)C)=O)C=C1
Synonyms	144186-11-8, Methyl 6-((tert-butoxycarbonyl)amino)nicotinate, methyl 6-[(tert-butoxycarbonyl)amino]nicotinate, methyl 6-[(tert-butoxycarbonyl)amino]pyridine-3-carboxylate, methyl 6-{[(tert-butoxy)carbonyl]amino}pyridine-3-carboxylate, methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, methylbutoxycarbonylaminonicotinate, ACMC-20efm9, AC1MC9FH, SCHEMBL2772417, CTK4C3975, KS-00001YYC, DTXSID40377349, KHMRKCRGUHPQLA-UHFFFAOYSA-N, ZINC169842, MFCD05663797, SBB101112, AKOS005070806, RP14359, RTR-035718, AJ-17300, TR-035718, FT-0680534, methyl 6-(tert-butoxycarbonylamino)nicotinate, methyl 6-tert-butyloxycarbonylaminonicotinate, Z3258, methyl-6-(tert-butoxycarbonylamino)-nicotinate, C-4315, 6X-0713, Methyl 6-[(tert-butyloxycarbonyl)amino]nicotinoate, I05-1081, J-522512, methyl 6-[(tert-butoxy)carbonylamino]pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, C12H16N2O4, ZINC00169842, CID2764194, Methyl6-((tert-butoxycarbonyl)amino)nicotinate, Methyl 6-[(tert-butoxycarbonyl)amino]nicotinate, 95% - 1G 1g,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.111g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.27g/mol
Monoisotopic Mass	252.111g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	77.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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