1-methyl-1H-indole-5-carbaldehyde

HCID 7537534CAS 90923-75-4

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Grundinformationen

Standard-SMILES: Cn1ccc2cc(C=O)ccc21
InChIKey: XIVDZBIBWGQOTI-UHFFFAOYSA-N
Summenformel: C10H9NO
Durchschnittliche Molmasse: 159,18 g/mol
Monoisotopische Masse: 159,06841391

Namen und Bezeichner

Bevorzugter Name: 1-methyl-1H-indole-5-carbaldehyde
IUPAC: 1-methylindole-5-carbaldehyde
Englischer Name: 1-Methyl-1H-indole-5-carbaldehyde
Summenformel: C10H9NO
Molmasse: 159.18

Namen und Synonyme

1-methyl-1H-indole-5-carbaldehyde90923-75-41-methylindole-5-carbaldehyde1-Methyl-1H-indole-5-carboxaldehydeMFCD082719081H-Indole-5-carboxaldehyde, 1-methyl-N-methylindole-5-carboxaldehydeCHEMBL3358224BDBM50037843STK501443Y11274Z1201624481

Weitere Namen anzeigen

1-Methylindolecarbaldehyde5-Formyl-1-methyl-1H-indole1-Methylindole-5-carboxaldehyde1-Methyl-1H-indole-5-carboxaldehyde97%1-Methyl-1H-indole-5-carboxaldehyde 97%

AMY75531H-Indole-5-carboxaldehyde,1-methyl-5-formyl-1-methylindoleN-Methylindol-5-carbaldehydeN-Methylindole-5-carbaldehydeSCHEMBL1125942SCHEMBL6967613SCHEMBL29569100

Datenbank-Bezeichner

CAS: 90923-75-4
PubChem CID: 7537534
DTXSID: DTXSID90428739
ChEMBL: CHEMBL3358224
EC Number: 804-684-9
Nikkaji: J3.307.954K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 22 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 181

Physikochemische Eigenschaften

Schmelzpunkt: 84 · 84-85.5
Siedepunkt: 318.7 · 318.7±15.0 °C(Predicted)
Dichte: 1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: Solid
InChI: InChI=1S/C10H9NO/c1-11-5-4-9-6-8(7-12)2-3-10(9)11/h2-7H,1H3
InChIKey: XIVDZBIBWGQOTI-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=C(C=O)C=C2)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.