CAS
89978-46-1 Purity
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89978-46-1 Purity
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The molecular formula is C7H17N3O.
The molecular weight is 159.23 g/mol.
The IUPAC name is 1-(4-aminopiperazin-1-yl)propan-2-ol.
The InChI is InChI=1S/C7H17N3O/c1-7(11)6-9-2-4-10(8)5-3-9/h7,11H,2-6,8H2,1H3.
The InChIKey is GFYHLQCKVVUBSK-UHFFFAOYSA-N.
The Canonical SMILES is CC(CN1CCN(CC1)N)O.
The XLogP3-AA value is -0.9.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 52.7 Å2.
Yes, the compound is canonicalized.