AG00ILBI

1252672-84-6 | tert-butylN-{4-hydroxybicyclo[2.2.2]octan-1-yl}carbamate

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CAS Number	1252672-84-6
Catalog Number	AG00ILBI(AGN-PC-0WD77M)
Chemical Name	tert-butylN-{4-hydroxybicyclo[2.2.2]octan-1-yl}carbamate
IUPAC Name	tert-butyl N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)carbamate
InChI	InChI=1S/C13H23NO3/c1-11(2,3)17-10(15)14-12-4-7-13(16,8-5-12)9-6-12/h16H,4-9H2,1-3H3,(H,14,15)
InChI Key	MSWXCWNGGPGPDD-UHFFFAOYSA-N
MDL Number	MFCD28403233
Molecular Formula	C13H23NO3
Molecular Weight	241.3266
SMILES	CC(C)(C)OC(=O)NC12CCC(O)(CC1)CC2
Synonyms	1252672-84-6, tert-Butyl (4-hydroxybicyclo[2.2.2]octan-1-yl)carbamate, TERT-BUTYL N-{4-HYDROXYBICYCLO[2.2.2]OCTAN-1-YL}CARBAMATE, tert-butylN-{4-hydroxybicyclo[2.2.2]octan-1-yl}carbamate, MFCD28403233, AKOS027254270, SB15495, AS-52267, CS-0047900, t-Butyl (4-hydroxybicyclo[2.2.2]octan-1-yl)carbamate, tert-butyl N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)carbamate,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.168g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	241.331g/mol
Monoisotopic Mass	241.168g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number