HuagongsheHuagongshe Chemistry Print Report · For research reference only
Indole-3-acetamide
INDOLE-3-ACETAMIDE · 2-(1H-INDOL-3-YL)ACETAMIDE · 1H-Indole-3-acetamide · INDOLEACETAMIDE · NSC 1969 · BRN0873543 · 3-Indoleace · BRN 0873543
Identifiers & Physical Properties
| CAS No. | 879-37-8 |
|---|---|
| Molecular formula | C10H10N2O |
| Average molar mass | 174.2 g/mol |
| Monoisotopic mass | 174.07931294 g/mol |
| SMILES | NC(=O)Cc1c[nH]c2ccccc12 |
| InChIKey | ZOAMBXDOGPRZLP-UHFFFAOYSA-N |
| PubChem CID | 397 |
| ChEBI | CHEBI:16031 |
| EC No. | 212-904-4 |
| DTXSID | DTXSID60236686 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 58.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 205 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| Melting point | 150 - 151 °C148-150 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 135.5 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]136.2 Ų [M+H]+ |
| Boiling point | 469.7±28.0 °C(Predicted) |
| Density | 1.285±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | DMSO (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 16.37±0.40(Predicted) |
| Color | White to Off-White |
| InChI | InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) |
| InChIKey | ZOAMBXDOGPRZLP-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(CC(N)=O)=C1 |
| CAS DataBase Reference | 879-37-8(CAS DataBase Reference) |
| FDA UNII | O9SEW65XW3 |
| NIST Chemistry Reference | 3-Indoleacetamide(879-37-8) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xi |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.Not ClassifiedAggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29339900 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
Applications & Uses
Uses
Indole-3-acetamide was used in the synthesis of [5.5.6.6]diazafenestrane skeleton and indole-3-acetic acid.Reactant for the synthesis of:PET agent for imaging of protein kinase CA potential agent against Prion DiseaseProtein kinase C (PKC) inhibitor bisindolylmaleimide IVGlycogen synthase kinase-3 (GSK-3) inhibitorsInhibitors of CaMKIIdA VEGF inhibitorJAK3 inhibitorsInhibitors of NAD+-Dependent Histone DeacetylasesInhibitors of human adipocyte fatty acid-binding proteinCyclin-dependent kinase inhibitors
General Description
Indole-3-acetamide is an auxin precursor.