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1-Methylpiperidin-4-methylamin
(1-METHYLPIPERIDIN-4-YL)METHANAMINE · 1-methylpiperidine-4-methylamine · AKOS B025002 · BUTTPARK 145\06-16 · TIMTEC-BB SBB009719 · ART-CHEM-BB B025002 · CHEMBRDG-BB 4103003 · 1-Methyl-4-(aMinoMethyl)p...
Identifikatoren & physikalische Daten
| CAS No. | 7149-42-0 |
|---|---|
| Summenformel | C7H16N2 |
| Durchschnittliche Molmasse | 128,22 g/mol |
| Monoisotopische Masse | 128,13134852 g/mol |
| SMILES | CN1CCC(CN)CC1 |
| InChIKey | AGTPSAZJSOQXHJ-UHFFFAOYSA-N |
| PubChem CID | 81574 |
| ChEMBL | CHEMBL4536092 |
| EC No. | 230-477-2 |
| DTXSID | DTXSID50221708 |
| Lokaler Name | 1-Methylpiperidin-4-methylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 75 |
| Schmelzpunkt | 0°C |
| Siedepunkt | 80 °C |
| Dichte | 0.901±0.06 g/cm3(Predicted) |
| Flammpunkt | 0°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 10.13±0.29(Predicted) |
| Farbe | Pale yellow |
| InChI | InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3 |
| InChIKey | AGTPSAZJSOQXHJ-UHFFFAOYSA-N |
| SMILES | N1(C)CCC(CN)CC1 |
| CAS Datenbank | 7149-42-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 8 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 | Flam. Liq. 3 (88.9%)Acute Tox. 4 (93.3%)Skin Corr. 1C (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | 2735 |
| Zollcode | 29333990 |
| R-Sätze (R) | 34-20/22-22-10 |
| Gefahrensymbole | C,Xi |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-23 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1C |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
(1-methyl-4-piperidinyl)methanamine is a reagent used in the synthesis of novel indole-carboxamides which are inhibitors of neurotropic alphavirus.