99-00-5 Purity
96%
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Specification
The molecular formula of the compound is C13H17N3.
The molecular weight of the compound is 215.29 g/mol.
The IUPAC name of the compound is 4-N-(2-methylpropyl)quinoline-3,4-diamine.
The InChIKey of the compound is JFMKIQOIIMSWIM-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CC(C)CNC1=C(C=NC2=CC=CC=C21)N.
The CAS number of the compound is 99010-09-0.
The XLogP3-AA value of the compound is 2.8.
There are 2 hydrogen bond donor counts present in the compound.
The topological polar surface area of the compound is 50.9 Ų.
Yes, the compound is canonicalized.