2-Methyl-1H-indol-3-ethylamin

2-Methyl-1H-indole-3-ethylamine

HCID 75949CAS 2731-06-8

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Grundinformationen

Standard-SMILES: Cc1[nH]c2ccccc2c1CCN
InChIKey: CPVSLHQIPGTMLH-UHFFFAOYSA-N
Summenformel: C11H14N2
Durchschnittliche Molmasse: 174,24 g/mol
Monoisotopische Masse: 174,11569845

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-1H-indole-3-ethylamine
IUPAC: 2-(2-methyl-1H-indol-3-yl)ethanamine
Lokaler Name: 2-Methyl-1H-indol-3-ethylamin
Englischer Name: 2-Methylindole-3-ethylamine
Summenformel: C11H14N2
Molmasse: 174.24

Namen und Synonyme

2-Methyltryptamine2731-06-82-Methyl-1H-indole-3-ethylamineDTXSID30181755EINECS 220-347-3RefChem:474959DTXCID70104246220-347-32-(2-methyl-1H-indol-3-yl)ethanamine2-methylindole-3-ethylamine2-(2-Methyl-1H-indol-3-yl)-ethylamine2-(2-methyl-1H-indol-3-yl)ethan-1-amine

Weitere Namen anzeigen

AKOS B0069492-MethyltryptaminRARECHEM AN KA 1106ART-CHEM-BB B0069492-Methyltryptamine>2-Methylindole-3-ethylamine2-Methyltryptamine, ≥ 98.0%

1H-Indole-3-ethanamine, 2-methyl-3-(2-Aminoethyl)-2-methylindoleMFCD001301852-METHYL-1H-INDOLE-3-ETHANAMINE2-(2-methyl-1h-indol-3-yl)ethylamine2-(2-methylindol-3-yl)ethylamineF662-methyl tryptamine

Datenbank-Bezeichner

CAS: 2731-06-8
PubChem CID: 75949
DTXSID: DTXSID30181755
ChEMBL: CHEMBL2358910
EC Number: 220-347-3
Nikkaji: J46.767G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 41,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Schmelzpunkt: 106 to · 106.0 to 110.0 °C
Siedepunkt: 177 °C/1.5mmHg · 177°C/1.5mmHg(lit.)
Dichte: 1.126 · 1.126±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 17.78 · 17.78±0.30(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Dark green
InChI: InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3
InChIKey: CPVSLHQIPGTMLH-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C(CCN)=C1C
CAS Datenbank: 2731 · 2731-06-8(CAS DataBase Reference)

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.