Using Lhasa Limited software the prediction was negative with an exact match for Sarah.
“Both Sarah Nexus and Derek Nexus have made a negative prediction for the query compound. There is no reason to doubt these predictions. As a result, an overall in silico prediction of negative can be made.”
The other 6 nitrosamines were all positive. Does anyone know the history of why NDIPA was included in the list of 7?
Is interesting that the prediction using Lhasa limited software was negative to NDIPA nitrosamine.
I share with you the document related to, N-nitrosodiisopropylamine (NDIPA)
n_nitrosodi_n_propylamine_addendum.pdf (498.8 KB)
On the other hand, I recommend you search another database such as ECHA before making a decision. Where you will find NDIPA nitrosamine classified in Hazard Class and Category Code as Muta. 1B and Carc. 1B.
https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/222635
I hope my response will be helpful.
Best regards
Dr. Jholeisa Herrera
Medicinal Chemistry- Drug Synthesis PhD