In-Silico Structure Database (LMISSD)

Common Name
Amylamine 4:0
Systematic Name
N-(butanoyl)-amylamine
LM ID
LMISFA0805B178
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
157.146664
Formula
C9H19NO
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amino acids [FA0805]

String Representations

InChiKey (Click to copy)
FXLPZZFKRQDGQW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H19NO/c1-3-5-6-8-10-9(11)7-4-2/h3-8H2,1-2H3,(H,10,11)
SMILES (Click to copy)
CCCCCN=C(CCC)O

References

Other Databases