Dodecanoic acid; Nitrile
AlkaPlorer ID: AK152756
Synonym: Dodecanenitrile, 1-Cyanoundecane, Lauronitrile
IUPAC Name: dodecanenitrile
Structure
SMILES: CCCCCCCCCCCC#N
InChI: InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
InChIKey: VXCUURYYWGCLIH-UHFFFAOYSA-N
Reference
PubChem CID: 17092
CAS: 2437-25-4
LOTUS: LTS0074288
COCONUT: CNP0071944
{NPAtlas: NPA024359
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas veronii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| None | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 181.323
TPSA？: 23.79
MolLogP？: 4.430880000000004
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 28183.8 | nM | None |