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3-Ammonio-1-azoniabicyclo[2.2.2]octane dichloride

ChemSpider ID: 9564911
Molecular Formula: C₇H₁₆Cl₂N₂
Monoisotopic mass: 198.069000244141 Da
Systematic name

3-Ammonio-1-azoniabicyclo[2.2.2]octane dichloride
SMILES and InChIs

SMILES:

[Cl-].[Cl-].[NH3+]C2C1CC[NH+](CC1)C2 Copied

Std. InChI:

InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H Copied

Std. InChIKey:

STZHBULOYDCZET-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	0.203	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	2	#H bond donors:	2
#Freely Rotating Bonds:	1	Polar Surface Area:	Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	51.1 °C	Enthalpy of Vaporization:	40.24 kJ/mol
Boiling Point:	165.9 °C at 760 mmHg	Vapour Pressure:	1.83 mmHg at 25°C

Click to predict properties on the Chemicalize site

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