CAS
938459-08-6 Purity
96%
938459-08-6 Purity
96%
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Specification
The molecular formula is C8H13N3.
The molecular weight is 151.21 g/mol.
The IUPAC name is N'-pyridin-3-ylpropane-1,3-diamine.
InChI=1S/C8H13N3/c9-4-2-6-11-8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6,9H2
The InChIKey is ZQMAVYVCEUHMSB-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=CN=C1)NCCCN.
The XLogP3-AA value is 0.8.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 50.9 Ų.
Yes, it is a canonicalized compound.