Grundinformationen
- Standard-SMILES
NC(=O)C1CCNCC1- InChIKey
DPBWFNDFMCCGGJ-UHFFFAOYSA-N- Summenformel
- C6H12N2O
- Durchschnittliche Molmasse
- 128,17 g/mol
- Monoisotopische Masse
- 128,09496301
Namen und Bezeichner
- Bevorzugter Name
- 4-Piperidinecarboxamide
- IUPAC
- piperidine-4-carboxamide
- Lokaler Name
- Piperidin-4-carboxamid
- Englischer Name
- Isonipecotamide
- Summenformel
- C6H12N2O
- Molmasse
- 128.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
39546-32-2- PubChem CID
- 3772
- DTXSID
DTXSID7068182- ChEMBL
CHEMBL184430- ChEBI
CHEBI:166563- UNII
- CZE2810T4X
- EC Number
- 254-501-6
- Nikkaji
- J208.629H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,4
- Polarare Oberfläche (TPSA)
- 55,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 108
Physikochemische Eigenschaften
- Schmelzpunkt
- 145 · 145-148 °C(lit.)
- Siedepunkt
- 237.61 °C · 237.61°C (rough estimate)
- Dichte
- 1.0754 · 1.0754 (rough estimate)
- Brechungsindex
- 1.488 · 1.4880 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- DMSO (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Crystalline Powder
- pka
- 16.48 · 16.48±0.20(Predicted)
- Farbe
- White to light yellow
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 112554 · 112554
- Stabilität
- Hygroscopic
- InChI
- 1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)
- InChIKey
- DPBWFNDFMCCGGJ-UHFFFAOYSA-N
- SMILES
- NC(=O)C1CCNCC1
- LogP
- -0.88 · -0.88
- CAS Datenbank
- 39546 · 39546-32-2(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · 4-Piperidinecarboxamide (39546-32-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 11 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.
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenAnesthetic, analgesic, antimicrobial and cooling agent for prevention or treatment of skin irritation.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…