AG0028FF

202797-03-3 | 9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester

AG0028FF

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CAS Number	202797-03-3
Catalog Number	AG0028FF(AGN-PC-0QT6EA)
Chemical Name	9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate
InChI	InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-5-4-6-11(15)8-9(14)7-10/h9-11H,4-8,14H2,1-3H3
InChI Key	WVEPNZWEHKIHOM-UHFFFAOYSA-N
MDL Number	MFCD20275543
Molecular Formula	C13H24N2O2
Molecular Weight	240.3419
SMILES	C1C2CC(CC(CC1)N2C(=O)OC(C)(C)C)N
Synonyms	202797-03-3, TERT-BUTYL 3-AMINO-9-AZABICYCLO[3.3.1]NONANE-9-CARBOXYLATE, 3-amino-n-boc-9-azabicyclo[3.3.1]nonane, ENDO-3-AMINO-9-BOC-9-AZABICYCLO[3.3.1]NONANE, (3-exo)-tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate, (endo)-tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate, SCHEMBL8185274, tert-Butyl (1S,5R)-3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate, CTK8B9932, DTXSID00632527, WVEPNZWEHKIHOM-UHFFFAOYSA-N, KS-000004JQ, ANW-63649, MFCD20275543, AKOS015950605, CB-3579, FCH1617629, AC-22441, AK-78753, AN-30038, AS-31508, SC-25853, SY002484, 9-Boc-9-azabicyclo[3.3.1]nonan-3-amine, AB0071985, AB1001372, AX8174116, N-Boc-3-amino-9-azabicyclo[3.3.1]nonane, TC-152394, CS-0051533, FT-0760515, V4179, MFCD12198904 (97+%), S14-2486, 3-amino-9-t-butoxycarbonyl-9-azabicyclo[3.3.1]nonane, t-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate, 3-Amino-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester, 9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester, null, C13H24N2O2, endo-3-Amino-N-Boc-9-azabicyclo[3.3.1]nonane, 1363380-67-9, endo-tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate, N/A, 1887167-87-4, na,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.184g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.347g/mol
Monoisotopic Mass	240.184g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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