6641-64-1 Purity
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Specification
The PubChem CID of 3-Iodobenzylamine is 97012.
The molecular formula of 3-Iodobenzylamine is C7H8IN.
The molecular weight of 3-Iodobenzylamine is 233.05 g/mol.
The IUPAC name of 3-Iodobenzylamine is (3-iodophenyl)methanamine.
The InChI code of 3-Iodobenzylamine is InChI=1S/C7H8IN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2.
The InChIKey of 3-Iodobenzylamine is LQLOGZQVKUNBRX-UHFFFAOYSA-N.
The canonical SMILES of 3-Iodobenzylamine is C1=CC(=CC(=C1)I)CN.
The CAS number of 3-Iodobenzylamine is 696-40-2.
The XLogP3 value of 3-Iodobenzylamine is 2.
Yes, 3-Iodobenzylamine is considered a canonicalized compound.