Structure Database (LMSD)

Common Name
6-amino-hexanoic acid
Systematic Name
6-amino-hexanoic acid
Synonyms
  • 6-Aminohexanoic acid
LM ID
LMFA01100035
Status
Active
Exact Mass
Calculate m/z
131.094629
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
SLXKOJJOQWFEFD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
SMILES (Click to copy)
C(CCCN)CC(=O)O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 138.30
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 0.87
Molar Refractivity 35.65

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Created at
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Updated at
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