CAS
94551-77-6 Purity
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94551-77-6 Purity
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Specification
The molecular formula is C8H10ClN.
The molecular weight is 155.62 g/mol.
The IUPAC name is 1-(2-chlorophenyl)-N-methylmethanamine.
The InChI is InChI=1S/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3.
The InChIKey is DIWGZVQKFSFNLH-UHFFFAOYSA-N.
The canonical SMILES is CNCC1=CC=CC=C1Cl.
The CAS number is 94-64-4.
The European Community (EC) number is 202-350-1.
The ChEMBL ID is CHEMBL1178182.
Yes, it is a canonicalized compound.