10967/180 - QDB Compounds

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Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.

Compound

ID:130
Name:1-butanamine
Description:
Labels:Training
CAS:109-73-9
InChi Code:InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-2.26

experimental value

-2.3

Eq1: Full Model (Training set)

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