Grundinformationen
- Standard-SMILES
CC1CCNCC1- InChIKey
UZOFELREXGAFOI-UHFFFAOYSA-N- Summenformel
- C6H13N
- Durchschnittliche Molmasse
- 99,17 g/mol
- Monoisotopische Masse
- 99,10479942
Namen und Bezeichner
- Bevorzugter Name
- 4-Methylpiperidine
- IUPAC
- 4-methylpiperidine
- Lokaler Name
- 4-Methylpiperidin
- Englischer Name
- 4-Methylpiperidine
- Summenformel
- C6H13N
- Molmasse
- 99.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
626-58-4- PubChem CID
- 69381
- DTXSID
DTXSID8060820- ChEMBL
CHEMBL21533- UNII
- EV6HN6HDP8
- EC Number
- 210-954-1
- Nikkaji
- J6.864K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 46
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
831;816;816
1077;1075
Physikochemische Eigenschaften
- Schmelzpunkt
- 4 · 4-5 °C
- Siedepunkt
- 124 °C · 124 °C(lit.)
- Dichte
- 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
- Dampfdruck
- 16 hPa · 16 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.446(lit.)
- Flammpunkt
- 45 °F · 45 °F
- storage temp.
- Flammables area
- Löslichkeit
- Chloroform
- Aggregatzustand
- Liquid
- pka
- 1 · pK1:11.23(+1) (25°C,μ=0.5)
- Wichte
- 0.838 · 0.838
- Farbe
- Clear slightly yellow
- PH
- 13 · 13 (100g/l, H2O, 20℃)
- Wasserlöslichkeit
- miscible
- BRN
- 1083 · 1083
- InChI
- 1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
- InChIKey
- UZOFELREXGAFOI-UHFFFAOYSA-N
- SMILES
- CC1CCNCC1
- CAS Datenbank
- 626 · 626-58-4(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Piperidine, 4-methyl-(626-58-4)
- EPA chemische Informationen
- 4 · Piperidine, 4-methyl- (626-58-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H302 (12.3%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (27.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (70.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (70.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (70.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 18 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
Regulatory Information
Chemical: Piperidine, 4-methyl-
Status: Active Update: 13-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19405
4-Methylpiperidine: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Chemical: Piperidine, 4-methyl-
Status: Active Update: 13-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19405
4-Methylpiperidine: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29333999
- risk_code
- 11-36/37/38-36-20/21-10-61
- hazard_code
- F,Xi,T
- safety_code
- 16-26-36-45-36/37-53
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden4-Methylpiperidine is used as a catalyst in the synthesis of stilbene derivatives as anti-malarial agents. It also serves as an anti-corrosive compound for iron.
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