2-Methyl-1H-indole-3-acetic acid

HCID 589107CAS 1912-43-2

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Grundinformationen

Standard-SMILES: Cc1[nH]c2ccccc2c1CC(=O)O
InChIKey: QJNNHJVSQUUHHE-UHFFFAOYSA-N
Summenformel: C11H11NO2
Durchschnittliche Molmasse: 189,21 g/mol
Monoisotopische Masse: 189,07897859

Überblick

2-Methylindole-3-acetic acid is a member of indole-3-acetic acids.

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-1H-indole-3-acetic acid
IUPAC: 2-(2-methyl-1H-indol-3-yl)acetic acid
Englischer Name: 2-METHYLINDOLE-3-ACETIC ACID
Summenformel: C11H11NO2
Molmasse: 189.21

Namen und Synonyme

1912-43-22-methyl-1h-indole-3-acetic acidRefChem:10636542-Methylindole-3-acetic acid2-(2-methyl-1H-indol-3-yl)acetic acid(2-Methyl-1H-indol-3-yl)acetic acid1H-Indole-3-acetic acid, 2-methyl-2-Methyl-3-indoleacetic acidMFCD000750062-(2-methylindol-3-yl)acetic acid2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid2-Methylindole-3-aceticacid

Weitere Namen anzeigen

2-Methyl Indole-3-acetate Acid2-Methyl-3-indoleacetic acid 98%2-Methylindole-3- acetic acid?New2-(2-Methyl-3-indolyl)acetic Acid2-METHYLINDOLE-3-ACETIC ACID, 98+%

2-Me-IAA(2-methyl-3-indolyl)acetic acidakos bc-0002SMR000036607Oprea1_079937MLS000039417iflab-bb f0345-1687SCHEMBL379103

Datenbank-Bezeichner

CAS: 1912-43-2
PubChem CID: 589107
DTXSID: DTXSID90343337
ChEMBL: CHEMBL312858
ChEBI: CHEBI:182632
Nikkaji: J703.166A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 53,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 229

Physikochemische Eigenschaften

Schmelzpunkt: 205 °C · 205 °C (dec.) (lit.)
Siedepunkt: 418.2 · 418.2±30.0 °C(Predicted)
Dichte: 1.299 · 1.299±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 4.19 · 4.19±0.30(Predicted)
Aggregatzustand: Solid
Farbe: Pale Brown to Light Brown
BRN: 152701 · 152701
InChI: 1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)
InChIKey: QJNNHJVSQUUHHE-UHFFFAOYSA-N
SMILES: Cc1[nH]c2ccccc2c1CC(O)=O
CAS Datenbank: 1912 · 1912-43-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
hazard_code: Xi
safety_code: 22-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden2-Methylindole-3-acetic Acid is a derivative of Indole-3-acetic acid which is a plant growth regulator. It induces cell division and cell elongation that promotes plant growth.