InChI=1/C6H15NO3.Cu/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;/q;+1

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Inherent Properties, Identifiers and References

ChemSpider ID:	4886537
Empirical Formula:	C₆H₁₅CuNO₃
Molecular Weight:	212.7337
Nominal Mass:	212 Da
Average Mass:	212.7337 Da
Monoisotopic Mass:	212.034246 Da

Systematic Name:

cuprous 2-(bis(2-hydroxyethyl)amino)ethanol

SMILES:

[Cu+].OCCN(CCO)CCO Copy

InChI:

InChI=1/C6H15NO3.Cu/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;/q;+1 Copy

InChIKey:

XEFBERIFHPNXFP-UHFFFAOYAK

Std. InChI:

InChI=1S/C6H15NO3.Cu/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;/q;+1 Copy

Std. InChIKey:

XEFBERIFHPNXFP-UHFFFAOYSA-N

Patents

Articles

Names and Synonyms

Predicted Properties

ACD/Labs

ACD/LogP:	-1.11	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-3.39	ACD/LogD (pH 7.4):	-1.69
ACD/BCF (pH 5.5):	1	ACD/BCF (pH 7.4):	1
ACD/KOC (pH 5.5):	1	ACD/KOC (pH 7.4):	1.57
#H bond acceptors:	4	#H bond donors:	3
#Freely Rotating Bonds:	9	Polar Surface Area:	30.93 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	185 °C	Enthalpy of Vaporization:	67.02 kJ/mol
Boiling Point:	335.4 °C at 760 mmHg	Vapour Pressure:	8.38E-06 mmHg at 25°C

Royal Society of Chemistry