AG001ZP9

174486-93-2 | 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester

AG001ZP9

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CAS Number	174486-93-2
Catalog Number	AG001ZP9(AGN-PC-004LR3)
Chemical Name	8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI	InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9/h8-10H,4-7,13H2,1-3H3
InChI Key	NZJKEPNCNBWESN-UHFFFAOYSA-N
MDL Number	MFCD11045781
Molecular Formula	C12H22N2O2
Molecular Weight	226.3153
SMILES	CC(C)(C)OC(=O)N1C2CCC1CC(N)C2
Synonyms	tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate, 174486-93-2, N-Boc-3-Amino-8-azabicyclo[3.2.1]octane, 207405-68-3, N-Boc-endo-3-aminotropane, tert-butyl 3-azanyl-8-azabicyclo[3.2.1]octane-8-carboxylate, ENDO-3-AMINO-8-BOC-8-AZABICYCLO[3.2.1]OCTANE, 3-AMINO-8-AZA-BICYCLO[3.2.1]OCTANE-8-CARBOXYLIC ACID TERT-BUTYL ESTER, AC1Q1MWF, EXO-3-AMINO-8-BOC-8-AZABICYCLO[3.2.1]OCTANE, SCHEMBL1034394, Endo-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester, CTK7D6032, NZJKEPNCNBWESN-UHFFFAOYSA-N, ANW-66432, MFCD18428076, AKOS010488848, AB62983, MCULE-1391590997, BS-14072, SC-30303, SY096897, TC-155177, 4CH-004137, 4CH-019033, 8-Boc-3-amino-8-azabicyclo[3.2.1]octane, AM20090166, CS-0038877, EN300-53238, MFCD18428077 (95%), A811645, 3-Amino-8-aza-bicyclo[3.2.1]octane-8-carboxylic ac, 8-N-Boc-3-(exo-amino)-8-azabicyclo[3.2.1]octane, I14-15049, t-Butyl exo-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate, 2-Methyl-2-propanyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate, 3-amino-8-((1,1-dimethylethoxy)carbonyl)-8-azabicyclo[3.2.1]octane, 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester, (1R,3r,5S)-rel-tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate, 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLIC ACID, 3-AMINO-, 1,1-DIMETHYLETHYL ESTER, 744183-20-8, 8-N-Boc-3-(endo-amino)-8-azabicyclo[3.2.1]octane, Tert-butyl (1R,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate,

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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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