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Specification
The molecular formula is C10H15N.
The molecular weight is 149.23 g/mol.
The IUPAC name is (1S)-2-methyl-1-phenylpropan-1-amine.
The InChI is InChI=1S/C10H15N/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10H,11H2,1-2H3/t10-/m0/s1.
The InChIKey is UVXXBSCXKKIBCH-JTQLQIEISA-N.
The canonical SMILES is CC(C)C(C1=CC=CC=C1)N.
The isomeric SMILES is CC(C)[C@@H](C1=CC=CC=C1)N.
The CAS number is 68906-26-3.
The XLogP3-AA value is 2.1.
Yes, (S)-2-Methyl-1-phenylpropan-1-amine is a canonicalized compound.