Structure database (LMSD)

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LM IDLMFA01100062
Common Name7,8-diaminononanoic acid
Systematic Name7,8-diaminononanoic acid
Synonyms7,8-DAP;7,8-DAPA;7,8-Diaminononanoate;7,8-diaminopelargonic acid;DAP;DAPA
Exact Mass
188.1525 (neutral)    Calculate m/z:
FormulaC9H20N2O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem CID652
CHEBI ID2247
InChIKeyKCEGBPIYGIWCDH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13
)
SMILESC(CCCCCC(C(C)N)N)(O)=O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
201.20Topological Polar
Surface Area
89.34Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP1.27Molar
Refractivity
53.37