CAS
904813-55-4 Purity
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904813-55-4 Purity
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Specification
The molecular formula is C11H19N3.
The molecular weight is 193.29 g/mol.
The IUPAC name is 1-pyridin-4-ylhexane-1,6-diamine.
The InChI is InChI=1S/C11H19N3/c12-7-3-1-2-4-11(13)10-5-8-14-9-6-10/h5-6,8-9,11H,1-4,7,12-13H2.
The InChIKey is DBBDWCHJVDAPOZ-UHFFFAOYSA-N.
The Canonical SMILES is C1=CN=CC=C1C(CCCCCN)N.
The XLogP3-AA value is 0.2.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 64.9 Ų.
Yes, it is a canonicalized compound.