3-azanyl-3-heptyl-pentane-2,4-diol

Systemtic Name: 3-azanyl-3-heptyl-pentane-2,4-diol Openeye Name: 3-amino-3-heptyl-pentane-2,4-diol CAS Name: 3-amino-3-heptylpentane-2,4-diol IUPAC Name: 3-amino-3-heptylpentane-2,4-diol Traditional Name: 3-amino-3-heptyl-pentane-2,4-diol Formula: C12H27NO2 MolecularWeight: 217.34828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C)O)(C(C)O)N

Isomeric SMILES

CCCCCCCC(C(C)O)(C(C)O)N

InChI

InChI=1S/C12H27NO2/c1-4-5-6-7-8-9-12(13,10(2)14)11(3)15/h10-11,14-15H,4-9,13H2,1-3H3