3-indoleacetonitrile
3-indoleacetonitrile synonyms
Indoleacetonitrile; 1H-indol-3-ylacetonitrile; 3-(Cyanomethyl)indole; Indole-3-acetonitrile; Indolylacetonitrile; (Indol-3-yl)acetonitrile; 3-indolylacetonitrile; 3-Indolacetonitrile; 3-(cyanomethyl)indole; (3-Indolyl)acetonitrile; (Indole-3-yl)acetonitrile
Graphical representations:
View large 3D structure
Molecular Formula: C10H8N2
Natural Isotopic Abundance Mass: 156.18392
Mono-Isotopic Molecular Masses:
- C12N14: 156.0687482672
- C13N14: 166.1022966452
- C12N15: 158.0628180536
- C13N15: 168.0963664316
InChI string: InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
PubChem Compound (CID): 351795CAS Registry number: 771-51-7
Sigma-Aldrich: 129453_ALDRICH
ChEBI: CHEBI:17566
ZINC: ZINC00163492
ChemIDplus: 000771517
ChemSpider: 312357
EINECS: 212-232-1
CCRIS: 5807
KEGG Compound ID: C02938
Beilstein Handbook Reference: 5-22-03-00074
ChemDB: 4733733
DTP/NCI: 523272
NIST Chemistry WebBook: 2601148749
MMCD: cq_01770
MDL: MFCD00005628
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)