Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 701-390-1
CAS number: -
calculation has been run by SPARK On-line calculator :
implementations (selected references):
reference:Hilal, Said, S. W. Karickhoff and L. A. Carreira,
Rigorous Test for SPARC's Chemical Reactivity Models: Estimation
Than 4300 Ionization pKa's," Quant.
Struc. Act. Rel., 14, 348 1995.
Predictions of the dissociation constant are made by SPARC and ACD Tox Suite 2.95. .pKa values are 10.6, 10.3, 10.3 and 10.2 ( according to SPARC). pKa values are 11.7, 10.0, 8.9 and 7 (according to ACD Tox Suite 2.95). These values were compared to literature values of the corresponding diamine and are in the same range.(10.6 and 8.6).
It is very hard to distinguish
the different dissociations constants, pKa, in i.e titration ( OECD
Guideline 112) because they will all enter in the same peak. Therefore a
prediction was done by SPARC and ACD Tox Suite 2.95. These values were
compared to literature values.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
Welcome to the ECHA website. This site is not fully supported in Internet Explorer 7 (and earlier versions). Please upgrade your Internet Explorer to a newer version.
Do not show this message again