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glycerol; trimethyl-(2-oxoethyl)ammonium

ChemSpider ID: 15346324
Molecular Formula: C₈H₂₀NO₄
Monoisotopic mass: 194.138687 Da
Systematic name

glycerol; trimethyl-(2-oxoethyl)ammonium
SMILES and InChIs

SMILES:

O=CC[N+](C)(C)C.OCC(O)CO Copied

Std. InChI:

InChI=1S/C5H12NO.C3H8O3/c1-6(2,3)4-5-7;4-1-3(6)2-5/h5H,4H2,1-3H3;3-6H,1-2H2/q+1; Copied

Std. InChIKey:

AJAXXKXMPCHYPX-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:		# 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:	5	#H bond donors:	3
#Freely Rotating Bonds:	7	Polar Surface Area:	77.76 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

Click to predict properties on the Chemicalize site

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