Grundinformationen
- Standard-SMILES
O=C(O)C1CCNCC1- InChIKey
SRJOCJYGOFTFLH-UHFFFAOYSA-N- Summenformel
- C6H11NO2
- Durchschnittliche Molmasse
- 129,16 g/mol
- Monoisotopische Masse
- 129,07897859
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 4-Piperidinecarboxylic acid
- IUPAC
- piperidine-4-carboxylic acid
- Lokaler Name
- 4-Piperidincarbonsure
- Englischer Name
- Isonipecotic acid
- Summenformel
- C6H11NO2
- Molmasse
- 129.16
Namen und Synonyme
Isonipecotic acidPiperidine-4-carboxylic acid498-94-24-Piperidinecarboxylic acid4-CarboxypiperidineHexahydroisonicotinic acidM5TZP1RWIENSC-61049DTXSID9060100RefChem:149589DTXCID1040744207-872-3
Weitere Namen anzeigen
Inp-OHPiperidin-4-carboxylic acidH-PIC(4)-OHh-dl-inp-ohIsonipecotic acisonipecotic acid
h-inp-ohMFCD00006004Isonicotinic acid, hexahydro-Acide isonipecotique4-Hexahydroisonicotinic aciddl-isopipecolinic acidNSC 61049Acide piperidine-carboxylique-4
Datenbank-Bezeichner
- CAS
498-94-2- PubChem CID
- 3773
- DTXSID
DTXSID9060100- ChEMBL
CHEMBL279998- UNII
- M5TZP1RWIE
- EC Number
- 207-872-3
- Nikkaji
- J6.113A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3
- Polarare Oberfläche (TPSA)
- 49,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 108
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C(lit.)
- Siedepunkt
- 239.22 °C · 239.22°C (rough estimate)
- Dichte
- 1.1426 · 1.1426 (rough estimate)
- Brechungsindex
- 1.4587 · 1.4587 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Water
- Aggregatzustand
- Powder
- pka
- 1 · pK1:3.73(+1);pK2:10.72(0) (25°C)
- Farbe
- White to faint pink-beige
- Wasserlöslichkeit
- soluble
- Merck
- 14 · 14,5189
- BRN
- 112553 · 112553
- InChI
- InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
- InChIKey
- SRJOCJYGOFTFLH-UHFFFAOYSA-N
- SMILES
- N1CCC(C(O)=O)CC1
- CAS Datenbank
- 498 · 498-94-2(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · 4-Piperidinecarboxylic acid (498-94-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.3% (1 of 79) of reports.
Warning
H315 (98.7%): Causes skin irritation [Warning Skin corrosion/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 79 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 18-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20353
4-Piperidinecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (98.7%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333999
- RTECS-Nr.
- NS5150000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information4-Piperidinecarboxylic acid: ACTIVE
Anwendungen
VerwendenA GABA-A receptor partial agonist
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Zugehörige Reaktionen
260
Verknüpfte Notizen
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