tert-butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

tert-butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

CAS: 227940-72-9

Formula: C12H22N2O2

SMILES: CC(C)(C)OC(=O)N1CC2CNCC(C2)C1

IUPAC: tert-butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

InChI: InChI=1/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-4-10(8-14)6-13-5-9/h9-10,13H,4-8H2,1-3H3

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	2
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	ZFVNQMTWYYKBES-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.6
Topological Polar Surface Area	41.57
Polarizability	24.81
Ring Count	2
Rotatable Bond Count	2

Suppliers

Acrotein ChemBio Inc.,

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	227940-72-9		$105.60-$316.80$105.60$211.20$316.80

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	227940-72-9		$136.19$136.19