4-Aminoindole

HCID 583431CAS 5192-23-4

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Grundinformationen

Standard-SMILES: Nc1cccc2[nH]ccc12
InChIKey: LUNUNJFSHKSXGQ-UHFFFAOYSA-N
Summenformel: C8H8N2
Durchschnittliche Molmasse: 132,16 g/mol
Monoisotopische Masse: 132,06874826

Namen und Bezeichner

Bevorzugter Name: 4-Aminoindole
IUPAC: 1H-indol-4-amine
Englischer Name: 4-Aminoindole
Summenformel: C8H8N2
Molmasse: 132.16

Namen und Synonyme

4-Aminoindole5192-23-4DTXSID50342629RefChem:518239DTXCID10293709621-202-01H-Indol-4-amine1H-Indol-4-ylamineMFCD010765594-aminoindolindol-4-ylamine4-amino-1H-indol

Weitere Namen anzeigen

4-INDOLAMINE4-AiminoindoleINDOLE-4-AMINE4-AMinoindole 97%(Indol-4-yl)amine4-Aminoindole >4-Aminoindole ,97%

4-amino-1h-indole1H-indol-4-yl-amineSCHEMBL113992indole-4-ylamineGEO-00149AKOS005206886A35742P-050

Datenbank-Bezeichner

CAS: 5192-23-4
PubChem CID: 583431
DTXSID: DTXSID50342629
ChEBI: CHEBI:183733
EC Number: 621-202-0
Nikkaji: J80.973J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 41,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 124

Physikochemische Eigenschaften

Schmelzpunkt: 106 · 106-109 °C (lit.)
Siedepunkt: 354 · 354.0±15.0 °C(Predicted)
Dichte: 1.268 · 1.268±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 18.23 · 18.23±0.30(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Gray to Brown
Wasserlöslichkeit: Insoluble
BRN: 114919 · 114919
InChI: InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2
InChIKey: LUNUNJFSHKSXGQ-UHFFFAOYSA-N
SMILES: N1C2=C(C(N)=CC=C2)C=C1
CAS Datenbank: 5192 · 5192-23-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (18.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Sicherheitsdaten

F: 8-10-34
wgk: 3
hs_code: 29339990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
hazard_class: AIR SENSITIVE, IRRITANT-HARMFUL, KEEP COLD
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Aminoindole may be used to synthesize:macrolactam tumour promoter indolactam Vtricyclic structure of 2-substituted-pyrrolo[2,3-h]quinolin-4-one4-azidoindole