Ethyl-1-methylpiperidin-3-carboxylat
Ethyl 1-methylpiperidine-3-carboxylate
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Grundinformationen
- CAS
5166-67-6- Standard-SMILES
CCOC(=O)C1CCCN(C)C1- InChIKey
VFJJNMLPRDRTCO-UHFFFAOYSA-N- Summenformel
- C9H17NO2
- Durchschnittliche Molmasse
- 171,24 g/mol
- Monoisotopische Masse
- 171,12592879
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 1-methylpiperidine-3-carboxylate
- IUPAC
- ethyl 1-methylpiperidine-3-carboxylate
- Lokaler Name
- Ethyl-1-methylpiperidin-3-carboxylat
- Englischer Name
- Ethyl 1-methylnipecotate
- Summenformel
- C9H17NO2
- Molmasse
- 171.24
Namen und Synonyme
5166-67-6Ethyl 1-methylpiperidine-3-carboxylateEthyl 1-methyl-3-piperidinecarboxylateEINECS 225-951-0DTXSID701282086VFJJNMLPRDRTCO-UHFFFAOYSA-NSC 64739RefChem:593355DTXCID30893407225-951-0InChI=1/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3Ethyl N-methylpiperidine-3-carboxylate
Weitere Namen anzeigen
LABOTEST-BB LT00159658Ethyl 1-methylnipecotate, 98+%1-Methyl-nipecotic acid ethyl esterEthyl-1-methylpiperidin-3-carboxylatthyl N-methyl piperidine-3-carboxylateETHYL 1-METHYL-3-PIPERIDINE-CARBOXYLATE
Ethyl 1-methylnipecotateMFCD000064961-METHYL-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER1-Methylpiperidine-3-carboxylic acid ethyl ester1-Methyl-3-piperidinecarboxylic Acid Ethyl EsterEthylN-methylpiperidine-3-carboxylateAKOS000120112PS-5853
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 159
Physikochemische Eigenschaften
- Siedepunkt
- 88 · 88-89 °C/11 mmHg (lit.)
- Dichte
- 0.954 g/mL · 0.954 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.451(lit.)
- Flammpunkt
- 155 °F · 155 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- 8.56 · 8.56±0.10(Predicted)
- Farbe
- Colorless to Almost colorless
- BRN
- 123259 · 123259
- InChI
- 1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3
- InChIKey
- VFJJNMLPRDRTCO-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C1CCCN(C)C1
- CAS Datenbank
- 5166 · 5166-67-6(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Ethyl 1-methylnipecotate(5166-67-6)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
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 (97.5%): 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 40 reports by companies from 3 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)
Sicherheitsdaten
- F
- 9-23
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
Chemie und Industrie
Anwendungen
VerwendenReactant for: N-demethylation of tertiary amines Reverse cope elimination reactions Regioselective oxidation Synthesis of chelating agents Sequential Michael-Michael-Dieckmann cyclizations
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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