tert-butyl 4-amino-2-azabicyclo[2.2.2]octane-2-carboxylate

tert-butyl 4-amino-2-azabicyclo[2.2.2]octane-2-carboxylate

CAS: 1311390-89-2

Formula: C12H22N2O2

SMILES: CC(C)(C)OC(=O)N1CC2(N)CCC1CC2

IUPAC: tert-butyl 4-amino-2-azabicyclo[2.2.2]octane-2-carboxylate

InChI: InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-12(13)6-4-9(14)5-7-12/h9H,4-8,13H2,1-3H3

Composition: C (63.69%), H (9.80%), N (12.38%), O (14.14%)

Molar Mass: 226.32

Atom Count: 38

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	226.168127956
Formal Charge	0
FSP3	0.92
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LLZODIZNEBXFNN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.95
Topological Polar Surface Area	55.56
Polarizability	24.81
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1311390-89-2		$459.00-$1,890.24$459.00$756.60$1,261.00$1,890.24