Indol-5-ylamin

5-Aminoindole

HCID 78867CAS 5192-03-0

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Grundinformationen

Standard-SMILES: Nc1ccc2[nH]ccc2c1
InChIKey: ZCBIFHNDZBSCEP-UHFFFAOYSA-N
Summenformel: C8H8N2
Durchschnittliche Molmasse: 132,16 g/mol
Monoisotopische Masse: 132,06874826

Überblick

1H-indol-5-amine is an indolamine carrying an amino group at position 5.

Namen und Bezeichner

Bevorzugter Name: 5-Aminoindole
IUPAC: 1H-indol-5-amine
Lokaler Name: Indol-5-ylamin
Englischer Name: 5-Aminoindole
Summenformel: C8H8N2
Molmasse: 132.16

Namen und Synonyme

5-Aminoindole1H-Indol-5-amine5192-03-0Q732PG0Y16NSC-61452DTXSID5063734CHEBI:33067RefChem:101993DTXCID4041103225-977-2Indol-5-ylamineIndole, 5-amino-

Weitere Namen anzeigen

indolin-5-amineNSC 61452AKOS 911485-INDOLYLAMINEINDOLE-5-AMINE

MFCD000056791H-indol-5-ylamine5-AMINO-1H-INDOLEindole-5-ylamine5-Indolamine5 -aminoindole5-amino indole5-amino-indole

Datenbank-Bezeichner

CAS: 5192-03-0
PubChem CID: 78867
DTXSID: DTXSID5063734
ChEMBL: CHEMBL325916
ChEBI: CHEBI:33067
UNII: Q732PG0Y16
EC Number: 225-977-2
Nikkaji: J80.971C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
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

Experimentelle und physikochemische Eigenschaften

LogP1.13

Physikochemische Eigenschaften

Schmelzpunkt: 131 · 131-133 °C (dec.) (lit.)
Siedepunkt: 190 °C · 190 °C / 6mmHg
Dichte: 1.1083 · 1.1083 (rough estimate)
Brechungsindex: 1.6013 · 1.6013 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO, Methanol
pka: 17.39 · 17.39±0.30(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Off-white to gray-brown
Wasserlöslichkeit: insoluble
BRN: 112348 · 112348
InChI: 1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2
InChIKey: ZCBIFHNDZBSCEP-UHFFFAOYSA-N
SMILES: Nc1ccc2[nH]ccc2c1
CAS Datenbank: 5192 · 5192-03-0(CAS DataBase Reference)
NIST chemische Informationen: 5 · 5-Aminoindole(5192-03-0)
EPA chemische Informationen: 5 · 5-Aminoindole (5192-03-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): 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 96 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1H-Indol-5-amine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

F: 10
wgk: 3
tsca: TSCA listed
hs_code: 29339990
risk_code: 22-36/37/38-68
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-45-36/37
hazard_class: AIR SENSITIVE, IRRITANT-HARMFUL, KEEP COLD
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Eye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Indol-5-amine: INACTIVE

Anwendungen · 1 Eintrag

VerwendenReactant for preparation of:Smac mimetics that bind to the BIR2 domain of the anti-apoptotic protein XIAPCytotoxic and antimitotic agentsInsulin-like growth factor 1 receptor inhibitorsAntitumoral agentsFactor Xa inhibitorPotential antivascular agentsGli1-mediated transcription in the Hedgehog pathwayInhibitors of receptor tyrosine kinase with antiangiogenic effectsPKCθ inhibitorsHIV protease inhibitors