2,5-diazabicyclo[2.2.2]octane

2,5-diazabicyclo[2.2.2]octane

CAS: 658-24-2

Formula: C6H12N2

SMILES: C1CC2CNC1CN2

IUPAC: 2,5-diazabicyclo[2.2.2]octane

InChI: InChI=1/C6H12N2/c1-2-6-4-7-5(1)3-8-6/h5-8H,1-4H2

Composition: C (64.24%), H (10.78%), N (24.97%)

Molar Mass: 112.176

Atom Count: 20

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	112.100048394
Formal Charge	0
FSP3	1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	DJWDAKFSDBOQJK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.33
Topological Polar Surface Area	24.06
Polarizability	13.38
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	658-24-2		$157.55-$3,185.50$157.55$201.25$286.35$458.85$802.70$3,185.50