HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 78403Erstellt: 26. Oktober 2026
4-Piperidinobutyronitril
1-Piperidinebutanenitrile · 1-Piperidinebutyronitrile
https://huagongshe.com/de/chemical/78403
Identifikatoren & physikalische Daten
| CAS No. | 4672-18-8 |
|---|
| Summenformel | C9H16N2 |
|---|
| Durchschnittliche Molmasse | 152,24 g/mol |
|---|
| Monoisotopische Masse | 152,13134851 g/mol |
|---|
| SMILES | N#CCCCN1CCCCC1 |
|---|
| InChIKey | CVROVTGNNDIZNS-UHFFFAOYSA-N |
|---|
| PubChem CID | 78403 |
|---|
| EC No. | 225-119-7 |
|---|
| DTXSID | DTXSID70196929 |
|---|
| Lokaler Name | 4-Piperidinobutyronitril |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|
| Polarare Oberfläche (TPSA) | 27 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 139 |
|---|
| Siedepunkt | 110-111 °C(Press: 11 Torr) |
|---|
| Dichte | 0.931 g/cm3 |
|---|
| pKa (Säurekonstante) | 9.00±0.10(Predicted) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
|---|
| UN-Transportnummer | UN3276 |
|---|
| RTECS-Nr. | TM5630000 |
|---|
| Gefahrenklasse | 6.1 |
|---|
