benzyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate

benzyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate

CAS: 956794-81-3

Formula: C14H18N2O2

SMILES: O=C(OCC1=CC=CC=C1)N1CC2CCC1CN2

IUPAC: benzyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate

InChI: InChI=1/C14H18N2O2/c17-14(18-10-11-4-2-1-3-5-11)16-9-12-6-7-13(16)8-15-12/h1-5,12-13,15H,6-10H2

Composition: C (68.27%), H (7.37%), N (11.37%), O (12.99%)

Molar Mass: 246.31

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	246.136827828
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BLRRVAJWVRVYFD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.13
Topological Polar Surface Area	41.57
Polarizability	27.02
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	956794-81-3		$321.56-$1,322.79$321.56$514.49$882.70$1,322.79