AG008UCI

1049025-21-9 | 4-(N-BOC-aMinoMethyl)-2-BroMopyridine

AG008UCI

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CAS Number	1049025-21-9
Catalog Number	AG008UCI(AGN-PC-068B7P)
Chemical Name	4-(N-BOC-aMinoMethyl)-2-BroMopyridine
IUPAC Name	tert-butyl N-[(2-bromopyridin-4-yl)methyl]carbamate
InChI	InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14-7-8-4-5-13-9(12)6-8/h4-6H,7H2,1-3H3,(H,14,15)
InChI Key	RCAILCHNJCUBJA-UHFFFAOYSA-N
MDL Number	MFCD11505921
Molecular Formula	C11H15BrN2O2
Molecular Weight	287.1530
SMILES	O=C(OC(C)(C)C)NCC1=CC(Br)=NC=C1
Synonyms	1049025-21-9, 4-(N-BOC-AMINOMETHYL)-2-BROMOPYRIDINE, tert-Butyl ((2-bromopyridin-4-yl)methyl)carbamate, 4-Boc-aminomethyl-2-bromopyridine, W-204540, tert-Butyl [(2-bromopyridin-4-yl)methyl]carbamate, SCHEMBL13391259, CTK4A3462, DTXSID50655140, RCAILCHNJCUBJA-UHFFFAOYSA-N, MFCD11505921, ZINC30677893, FCH1628171, RP06699, AJ-83957, AX8260424, RT-016824, CS-0059178, Y6904, B90050, C-2288, tert-butyl(2-bromo-pyridin-4-ylmethyl)-carbamate, J-513792, tert-butyl N-[(2-bromopyridin-4-yl)methyl]carbamate, (2-bromo-pyridin-4-ylmethyl)-carbamic acid tert-butyl ester, 4-(N-BOC-AMINOMETHYL)-2-BROMOPYRIDINE[1049025-21-9], C11H15BrN2O2,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.032g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	287.157g/mol
Monoisotopic Mass	286.032g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.2A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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