CAS
92645-06-2 Purity
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92645-06-2 Purity
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The molecular formula is C11H14N2O.
The molecular weight is 190.24 g/mol.
The IUPAC name is 3-[N-(2-hydroxyethyl)anilino]propanenitrile.
The Canonical SMILES structure is C1=CC=C(C=C1)N(CCC#N)CCO.
The InChIKey is WZJJWQVBLSPALW-UHFFFAOYSA-N.
The CAS number is 92-64-8.
It has 1 hydrogen bond donor count.
The XLogP3 value is 1.4.
The topological polar surface area is 47.3 Ų.
Yes, the compound is canonicalized.