1H-Indol-3-acetamid
Indole-3-acetamide
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Grundinformationen
- CAS
879-37-8- Standard-SMILES
NC(=O)Cc1c[nH]c2ccccc12- InChIKey
ZOAMBXDOGPRZLP-UHFFFAOYSA-N- Summenformel
- C10H10N2O
- Durchschnittliche Molmasse
- 174,2 g/mol
- Monoisotopische Masse
- 174,07931294
Überblick
Indole-3-acetamide is a member of the class of indoles that is acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic acid (IAA). It has a role as a plant metabolite, a fungal metabolite and a bacterial metabolite. It is a member of indoles, a monocarboxylic acid amide and a N-acylammonia. It is functionally related to an acetamide.
Namen und Bezeichner
- Bevorzugter Name
- Indole-3-acetamide
- IUPAC
- 2-(1H-indol-3-yl)acetamide
- Lokaler Name
- 1H-Indol-3-acetamid
- Englischer Name
- 3-Indoleacetamide
- Summenformel
- C10H10N2O
- Molmasse
- 174.2
Namen und Synonyme
indole-3-acetamide879-37-82-(1H-Indol-3-yl)acetamide3-IndoleacetamideIndoleacetamide(indol-3-yl)acetamideO9SEW65XW3DTXSID60236686NSC-1969CHEBI:16031RefChem:148193DTXCID90159177
Weitere Namen anzeigen
BRN08735433-IndoleaceBRN 0873543BRN-0873543ACETAMIDOINDOZE
212-904-41H-Indole-3-acetamide3-IndolylacetamideMFCD000056411H-Indol-3-ylacetamide2-(3-Indolyl)acetamide1-Indole-3-acetamideNSC 1969
Datenbank-Bezeichner
- CAS
879-37-8- PubChem CID
- 397
- DTXSID
DTXSID60236686- ChEBI
CHEBI:16031- UNII
- O9SEW65XW3
- EC Number
- 212-904-4
- Nikkaji
- J128.124K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 58,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 205
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Melting Point150 - 151 °C
Physical DescriptionSolid
Collision Cross Section
135.5 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
136.2 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 · 148-150 °C(lit.)
- Siedepunkt
- 469.7 · 469.7±28.0 °C(Predicted)
- Dichte
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly)
- Aggregatzustand
- Solid
- pka
- 16.37 · 16.37±0.40(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933990099
- hazard_code
- Xi
- hazard_note
- Irritant
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Anwendungen
VerwendenIndole-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
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: Indole-3-acetamide is a member of the class of indoles that is acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic acid (IAA). It has a role as a fungal metabolite, a bacterial metabolite and a plant metabolite. It is a N-acylammonia, a monocarboxylic acid amide and a member of indoles. It is functionally related to an acetamide.
Zugehörige Reaktionen
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