AG00I568

273207-57-1 | 3-Methylene-8-Boc-8-azabicyclo[3.2.1]octane

AG00I568

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CAS Number	273207-57-1
Catalog Number	AG00I568(AGN-PC-0WCKRU)
Chemical Name	3-Methylene-8-Boc-8-azabicyclo[3.2.1]octane
IUPAC Name	tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI	InChI=1S/C13H21NO2/c1-9-7-10-5-6-11(8-9)14(10)12(15)16-13(2,3)4/h10-11H,1,5-8H2,2-4H3
InChI Key	ZYNYREKPRWPYDC-UHFFFAOYSA-N
MDL Number	MFCD22381986
Molecular Formula	C13H21NO2
Molecular Weight	223.3113
SMILES	O=C(N1C2CC(CC1CC2)=C)OC(C)(C)C
Synonyms	3-METHYLENE-8-BOC-8-AZABICYCLO[3.2.1]OCTANE, 273207-57-1, tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate, SCHEMBL2708300, ZYNYREKPRWPYDC-UHFFFAOYSA-N, KS-000006UQ, MFCD22381986, AKOS025403768, PB24483, AS-51628, CS-0037643, 3-methylene-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester, TERT-BUTYL 3-METHYLENE-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.157g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.316g/mol
Monoisotopic Mass	223.157g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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

Lot Number