tert-butyl 8-cyano-3-azabicyclo[3.2.1]octane-3-carboxylate

tert-butyl 8-cyano-3-azabicyclo[3.2.1]octane-3-carboxylate

CAS: 1341036-62-1

Formula: C13H20N2O2

SMILES: CC(C)(C)OC(=O)N1CC2CCC(C1)C2C#N

IUPAC: tert-butyl 8-cyano-3-azabicyclo[3.2.1]octane-3-carboxylate

InChI: InChI=1/C13H20N2O2/c1-13(2,3)17-12(16)15-7-9-4-5-10(8-15)11(9)6-14/h9-11H,4-5,7-8H2,1-3H3

Composition: C (66.07%), H (8.53%), N (11.85%), O (13.54%)

Molar Mass: 236.315

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	236.152477892
Formal Charge	0
FSP3	0.85
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YDWLHTXDHGRNQC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.19
Topological Polar Surface Area	53.33
Polarizability	24.98
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1341036-62-1		$158.89-$464.05$158.89$305.16$464.05