6-Aminoindole

HCID 256096CAS 5318-27-4

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Grundinformationen

Standard-SMILES: Nc1ccc2cc[nH]c2c1
InChIKey: MIMYTSWNVBMNRH-UHFFFAOYSA-N
Summenformel: C8H8N2
Durchschnittliche Molmasse: 132,16 g/mol
Monoisotopische Masse: 132,06874826

Namen und Bezeichner

Bevorzugter Name: 6-Aminoindole
IUPAC: 1H-indol-6-amine
Englischer Name: 6-Aminoindole
Summenformel: C8H8N2
Molmasse: 132.16

Namen und Synonyme

6-AminoindoleDTXSID30292416RefChem:540351DTXCID20243558627-713-51H-indol-6-amine5318-27-46-Amino-1H-indoleMFCD020939596-amino indole1H-indol-6-ylamine1H-lndol-6-ylamine

Weitere Namen anzeigen

NSC 823796-IndolamineINDOLE-6-AMINE6-AMINOINDOLINEindolin-6-amineIndol-6-ylamine6-Aminoindole >

6-Aminoindole, 97%NSC82379SCHEMBL94619indole-6-ylamineCL3506NSC-82379STK787118AKOS005206920

Datenbank-Bezeichner

CAS: 5318-27-4
PubChem CID: 256096
DTXSID: DTXSID30292416
EC Number: 627-713-5
Nikkaji: J80.996I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
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: 75 · 75-79 °C
Siedepunkt: 161 · 161-166°C 2mm
Dichte: 1.268 · 1.268±0.06 g/cm3(Predicted)
Flammpunkt: 161 · 161-166°C/2mm
storage temp.: -20 °C · -20°C
Löslichkeit: soluble in Methanol
pka: 18.23 · 18.23±0.30(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to brown
BRN: 112190 · 112190
InChI: InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,9H2
InChIKey: MIMYTSWNVBMNRH-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(N)=C2)C=C1
CAS Datenbank: 5318 · 5318-27-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 22-36/37/38
hazard_code: Xn,Xi
hazard_note: Harmful
safety_code: 26-36
hazard_class: IRRITANT-HARMFUL, KEEP COLD
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

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