10967/196 - QDB Compounds

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Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:42
Name:1,3-Benzenediamine, 2-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
420

experimental value

402.52

Eq.1: Model for diverse and pure compounds (Training set)

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