Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08010015
Common Name12-amino-dodecanoicacid
Systematic Name12-aminolauramide
Synonyms-
Exact Mass
214.2050 (neutral)    Calculate m/z:
FormulaC12H26N2O
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassPrimary amides [FA0801]
Alternative ClassesAmino fatty acids[FA0110]
PubChem CID6102805
InChIKeySNNMLPUQKZGXOJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H26N2O/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H2,14,15)
SMILESO=C(CCCCCCCCCCCN)N
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
244.31Topological Polar
Surface Area
69.11Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
1
 logP2.62Molar
Refractivity
64.91