CAS
614-13-1 Purity
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614-13-1 Purity
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Specification
The molecular formula is C4H11NO.
The molecular weight is 89.14 g/mol.
The IUPAC name is (3S)-3-aminobutan-1-ol.
The InChI is InChI=1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1.
The InChIKey is AGMZSYQMSHMXLT-BYPYZUCNSA-N.
The canonical SMILES is CC(CCO)N.
The isomeric SMILES is C[C@@H](CCO)N.
The CAS number is 61477-39-2.
The XLogP3-AA value is -0.6.
Yes, (S)-3-Aminobutan-1ol is a canonicalized compound.