CAS
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Specification
The molecular formula is C6H15NO2.
The molecular weight is 133.19 g/mol.
The IUPAC name is (2R)-3-(propan-2-ylamino)propane-1,2-diol.
The InChI is InChI=1S/C6H15NO2/c1-5(2)7-3-6(9)4-8/h5-9H,3-4H2,1-2H3/t6-/m1/s1.
The InChIKey is YKBZGEJJKPNRSI-ZCFIWIBFSA-N.
The canonical SMILES is CC(C)NCC(CO)O.
The isomeric SMILES is CC(C)NC[C@H](CO)O.
The CAS number is 97988-45-9.
The UNII is 7Z0646JT20.
Yes, the compound is canonicalized.