tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate
Grundinformationen
- CAS
530115-96-9- Standard-SMILES
CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
VREJUXWEWOVHHU-UHFFFAOYSA-N- Summenformel
- C12H20N2O2
- Durchschnittliche Molmasse
- 224,3 g/mol
- Monoisotopische Masse
- 224,15247789
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
- Englischer Name
- tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate
- Summenformel
- C12H20N2O2
- Molmasse
- 224.3
Namen und Synonyme
530115-96-9tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate1-BOC-4-CYANO-4-METHYL-PIPERIDINE1-Boc-4-cyano-4-methylpiperidineMFCD118497894-Cyano-4-methyl-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-cyano-4-methyl-, 1,1-dimethylethyl estertert-Butyl4-cyano-4-methylpiperidine-1-carboxylateSCHEMBL1118226tert-Butyl 4-cyano-4-methyl-piperidine-1-carboxylateDTXSID00676502VREJUXWEWOVHHU-UHFFFAOYSA-N
Weitere Namen anzeigen
Ert-Butyl 4-Cyano-4-Methylpiperidine-1-Carboxylate4-Cyano-4-methylpiperidine-1-carboxylic acid tert-butyl este...
1-Boc-4-cyano-4-Methylpip...ALBB-038068FWA11596AKOS015841233PB25438AS-34635SY023920DB-371980
Datenbank-Bezeichner
- CAS
530115-96-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 53,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 314
Physikochemische Eigenschaften
- Siedepunkt
- 327.9 · 327.9±35.0 °C(Predicted)
- Dichte
- 1.05 · 1.05±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- white to brown solid
- pka
- -3.05 · -3.05±0.40(Predicted)
- InChI
- InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-8H2,1-4H3
- InChIKey
- VREJUXWEWOVHHU-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C#N)(C)CC1
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- ridadr
- UN2811
- hs_code
- 2933399990
Chemie und Industrie
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