AG001479

1330763-51-3 | 3-Azabicyclo[3.2.1]octane-3-carboxylic acid, 8-amino-, 1,1-dimethylethyl ester

AG001479

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CAS Number	1330763-51-3
Catalog Number	AG001479(AGN-PC-0WAGR2)
Chemical Name	3-Azabicyclo[3.2.1]octane-3-carboxylic acid, 8-amino-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 8-amino-3-azabicyclo[3.2.1]octane-3-carboxylate
InChI	InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-8-4-5-9(7-14)10(8)13/h8-10H,4-7,13H2,1-3H3
InChI Key	HLEQZRPOOJVDHJ-UHFFFAOYSA-N
MDL Number	MFCD22566230
Molecular Formula	C12H22N2O2
Molecular Weight	226.3153
SMILES	O=C(N1CC(C2N)CCC2C1)OC(C)(C)C
Synonyms	1330763-51-3, TERT-BUTYL 8-AMINO-3-AZABICYCLO[3.2.1]OCTANE-3-CARBOXYLATE, 8-AMINO-3-BOC-3-AZABICYCLO[3.2.1]OCTANE, 8-Amino-3-aza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester, tert-Butyl 8-amino-3-azabicyclo-[3.2.1]octane-3-carboxylate, 1310381-28-2, SCHEMBL18614975, BCP20545, 4637AJ, MFCD19442523, MFCD22566230, AKOS023786946, CS-W007236, FCH1779195, PB21588, AK153380, AM803158, AS-51704, 3-Boc-3-azabicyclo[3.2.1]octan-8-amine, AX8227520, KS-00000738, Z-7761, F8881-7872, t-Butyl 8-amino-3-azabicyclo[3.2.1]octane-3-carboxylate, 3-Azabicyclo[3.2.1]octane-3-carboxylic acid, 8-amino-, 1,1-dimethylethyl ester, C12H22N2O2,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.168g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.32g/mol
Monoisotopic Mass	226.168g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1

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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