132640-22-3 Purity
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Specification
The molecular formula of Caldopentamine is C12H31N5.
The molecular weight of Caldopentamine is 245.41 g/mol.
The IUPAC name of Caldopentamine is N'-[3-[3-(3-aminopropylamino)propylamino]propyl]propane-1,3-diamine.
The InChIKey of Caldopentamine is BELZJFWUNQWBES-UHFFFAOYSA-N.
The Canonical SMILES of Caldopentamine is C(CN)CNCCCNCCCNCCCN.
The XLogP3-AA value of Caldopentamine is -1.5.
There are 5 hydrogen bond donor counts in Caldopentamine.
There are 14 rotatable bond counts in Caldopentamine.
The topological polar surface area of Caldopentamine is 88.1 Ų.
The complexity value of Caldopentamine is 118.