This record is deprecated and may be removed soon.

2D

3D

Save

Zoom

2-Hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium chloride

ChemSpider ID: 451062
Molecular Formula: C₆H₁₆ClNO₃
Monoisotopic mass: 185.081863 Da
Systematic name

2-Hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium chloride
SMILES and InChIs

SMILES:

[Cl-].OCC[NH+](CCO)CCO Copied

Std. InChI:

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

Std. InChIKey:

HHLJUSLZGFYWKW-UHFFFAOYSA-N Copied

ChemSpider Searches

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:	-1.108	# 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):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.00	ACD/KOC (pH 7.4):	1.57
#H bond acceptors:	4	#H bond donors:	3
#Freely Rotating Bonds:	9	Polar Surface Area:	27.69 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

Click to predict properties on the Chemicalize site

Spectra

CIFs

Patents

Pharmacological Links

Feedback Form