HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(Dimethylaminomethyl)-7-azaindole
N,N-Dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine · 3-(Dimethylaminomethyl)-7-azaindole · 3-[(DiMethylaMino)Methyl]-1H-Pyrrolo[2,3-b]pyridine · diMethyl({1H-pyrrolo[2,3-b]pyridin-3-ylMethyl})aMine · N,N-DiMethyl-1H-pyrrolo[2,3-b]pyridine-3-MethanaMine · N,N-DiMethyl(1H-pyrrolo[2,3-b]pyridin-3-yl)MethanaMine · 1H-Pyrrolo[2,3-b]pyridine-3-methanamine, N,N-dimethyl- · 1-(2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-yl)-N,N-dimethyl-methanamine
Identifikatoren & physikalische Daten
| CAS No. | 5654-92-2 |
|---|---|
| Summenformel | C10H13N3 |
| Durchschnittliche Molmasse | 175,23 g/mol |
| Monoisotopische Masse | 175,11094742 g/mol |
| SMILES | CN(C)Cc1c[nH]c2ncccc12 |
| InChIKey | RFLCFQLBXWLHKX-UHFFFAOYSA-N |
| PubChem CID | 5383549 |
| EC No. | 623-496-6 |
| DTXSID | DTXSID10419386 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 31,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 170 |
| Schmelzpunkt | 144-149 °C |
| Siedepunkt | 361.5±34.0 °C(Predicted) |
| Dichte | 1.13±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.14±0.28(Predicted) |
| Farbe | Pale Yellow to Yellow |
| InChI | InChI=1S/C10H13N3/c1-13(2)7-8-6-12-10-9(8)4-3-5-11-10/h3-6H,7H2,1-2H3,(H,11,12) |
| InChIKey | RFLCFQLBXWLHKX-UHFFFAOYSA-N |
| SMILES | C12NC=C(CN(C)C)C1=CC=CN=2 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 22-37/38-41 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
7-Azaindole derivative