1H-Indol-3-propylamin

1H-indole-3-propylamine

HCID 28989CAS 6245-89-2

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Grundinformationen

Standard-SMILES: NCCCc1c[nH]c2ccccc12
InChIKey: OOIAXMPVZJKJHK-UHFFFAOYSA-N
Summenformel: C11H14N2
Durchschnittliche Molmasse: 174,24 g/mol
Monoisotopische Masse: 174,11569846

Namen und Bezeichner

Bevorzugter Name: 1H-indole-3-propylamine
IUPAC: 3-(1H-indol-3-yl)propan-1-amine
Lokaler Name: 1H-Indol-3-propylamin
Englischer Name: 1H-indole-3-propylamine
Summenformel: C11H14N2
Molmasse: 174.24

Namen und Synonyme

6245-89-21H-Indole-3-propanamine1H-Indole-3-propylamineEINECS 228-361-1DTXSID00211492RefChem:438739DTXCID00133983228-361-1(1H-Indol-3-yl)-1-propanamine3-(1H-indol-3-yl)propan-1-amineMFCD00130194Homotryptamine

Weitere Namen anzeigen

N-propyl-1H-indol-3-amine1H-Indole-3-propan-1-amine

(1H-lndol-3-yl)-1-propanamine3-indol-3-ylpropylamine3-(3-aminopropyl)indole3-(Indol-3-yl)propanamineOprea1_526363SCHEMBL735189SCHEMBL50006813-(1H-indol-3-yl)propylamine

Datenbank-Bezeichner

CAS: 6245-89-2
PubChem CID: 28989
DTXSID: DTXSID00211492
ChEMBL: CHEMBL2229708
EC Number: 228-361-1
Nikkaji: J211.473I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 41,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Schmelzpunkt: 64 °C · 64 °C
Siedepunkt: 353.7 · 353.7±25.0 °C(Predicted)
Dichte: 1.125 · 1.125±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 17.29 · 17.29±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.