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- 0 of 1 defined stereocentres

1-(1-Piperazinyl)-1,3-propanediol dihydrochloride

ChemSpider ID: 13465576
Molecular Formula: C₇H₁₈Cl₂N₂O₂
Average mass: 233.136002 Da
Monoisotopic mass: 232.074539 Da
Systematic name

1-(1-Piperazinyl)-1,3-propanediol dihydrochloride
SMILES and InChIs

SMILES:

Cl.Cl.OC(CCO)N1CCNCC1 Copied

Std. InChI:

InChI=1S/C7H16N2O2.2ClH/c10-6-1-7(11)9-4-2-8-3-5-9;;/h7-8,10-11H,1-6H2;2*1H Copied

Std. InChIKey:

NJLKBKKILFWSIT-UHFFFAOYSA-N Copied
Cite this record
CSID:13465576, http://www.chemspider.com/Chemical-Structure.13465576.html (accessed 23:35, May 23, 2012) 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:	4	#H bond donors:	3
#Freely Rotating Bonds:	5	Polar Surface Area:	55.73 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	186.6 °C	Enthalpy of Vaporization:	73.29 kJ/mol
Boiling Point:	385 °C at 760 mmHg	Vapour Pressure:	1.63E-07 mmHg at 25°C

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