Tert-butyl 1,2,3,4-tetrahydropyridine-1-carboxylate
Grundinformationen
- CAS
131667-57-7- Standard-SMILES
CC(C)(C)OC(=O)N1C=CCCC1- InChIKey
VIBQTJLMJANION-UHFFFAOYSA-N- Summenformel
- C10H17NO2
- Durchschnittliche Molmasse
- 183,25 g/mol
- Monoisotopische Masse
- 183,12592879
Namen und Bezeichner
- Bevorzugter Name
- Tert-butyl 1,2,3,4-tetrahydropyridine-1-carboxylate
- IUPAC
- tert-butyl 3,4-dihydro-2H-pyridine-1-carboxylate
- Englischer Name
- N-Boc-3,4-dihydro-2H-pyridine
- Summenformel
- C10H17NO2
- Molmasse
- 183.25
Namen und Synonyme
tert-butyl 1,2,3,4-tetrahydropyridine-1-carboxylateRefChem:891977686-936-6131667-57-71-N-Boc-3,4-dihydro-2H-pyridinetert-butyl 3,4-dihydropyridine-1(2h)-carboxylaten-boc-3,4-dihydro-2h-pyridineTert-butyl 3,4-dihydro-2H-pyridine-1-carboxylateMFCD007981751-Boc-3,4-dihydro-2H-pyridine1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl esterSCHEMBL2600436
Weitere Namen anzeigen
N-Boc-3,4-dihydro-2H-pyridine 97%REF DUPL: 1-N-Boc-3,4-dihydro-2H-pyridineert-butyl3,4-dihydro-2H-pyridine-1-carboxylatetert-Butyl 3,4-dihydro-1(2H)-pyridinecarboxylate
SCHEMBL16096089SCHEMBL18979799SCHEMBL226838961-t-boc-5,6-didehydropiperidineDTXSID50440316VIBQTJLMJANION-UHFFFAOYSA-N1-Boc-1,2,3,4-tetrahydropyridineAKOS015914298
Datenbank-Bezeichner
- CAS
131667-57-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 215
Physikochemische Eigenschaften
- Siedepunkt
- 254 °C · 254 °C
- Dichte
- 0.988 g/mL · 0.988 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D1.477
- Flammpunkt
- 107 °C · 107 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- liquid
- pka
- -0.56 · -0.56±0.20(Predicted)
- InChI
- InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h5,7H,4,6,8H2,1-3H3
- InChIKey
- VIBQTJLMJANION-UHFFFAOYSA-N
- SMILES
- C1N(C(OC(C)(C)C)=O)C=CCC1
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 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 CategoriesAcute Tox. 3 (100%)；Aquatic Acute 1 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2810 6.1 / PGIII
- hs_code
- 2933399990
- risk_code
- 25-50
- hazard_code
- T,N
- safety_code
- 45-61
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1
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