HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(1H-indol-4-yl)methanamine
NSC 131886 · CHEMBRDG-BB 4003293 · 4-Aminomethylindole · INDOLE-4-METHYLAMINE · 1H-INDOLE-4-METHANAMINE · 1H-Indol-4-ylmethanamine · (1H-Indol-4-ymetyl)amine · 4-(Aminomethyl)indole 95%
Identifikatoren & physikalische Daten
| CAS No. | 3468-18-6 |
|---|---|
| Summenformel | C9H10N2 |
| Durchschnittliche Molmasse | 146,19 g/mol |
| Monoisotopische Masse | 146,08439833 g/mol |
| SMILES | NCc1cccc2[nH]ccc12 |
| InChIKey | FFBWKPKOXRMLNP-UHFFFAOYSA-N |
| PubChem CID | 280302 |
| ChEBI | CHEBI:187682 |
| EC No. | 663-726-2 |
| DTXSID | DTXSID00299654 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 132℃ |
| Siedepunkt | 335.6±17.0 °C(Predicted) |
| Dichte | 1.199 |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | Soluble in ethanol, dimethyl sulfoxide and dimethyl formamide. |
| pKa (Säurekonstante) | 17.21±0.30(Predicted) |
| Aggregatzustand | A crystalline solid |
| InChI | 1S/C9H10N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6,10H2 |
| InChIKey | FFBWKPKOXRMLNP-UHFFFAOYSA-N |
| SMILES | NCc1cccc2[nH]ccc12 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 36/37/38-41-37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
4-Aminomethylindole is a synthetic intermediate useful for pharmaceutical synthesis.
Verwenden
Reactant for preparation of dopamine receptor antagonists 1 Reactant for preparation of high-affinity ligands to α2δ subunit of voltage-gated calcium channels 2