10967/158 - QDB Compounds

QsarDB Repository

Tetteh, J.; Suzuki, T.; Metcalfe, E.; Howells, S. Quantitative Structure-Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network. J. Chem. Inf. Model. 1999, 39, 491-507.

Compound

ID:223
Name:1,3-Dimethylbutylamine
Description:
Labels:Training
CAS:108-09-8
InChi Code:InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3

Properties

Tb: Boiling point [°C]

ValueSource or prediction
167.5

experimental value

117.8

Tab7_Tb: RBF-NN model for diverse chemicals (Training set)

Tf: Flash point [°C]

ValueSource or prediction
12.8

experimental value

14.9

Tab7_Tf: RBF-NN model for diverse chemicals (Training set)

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