Grundinformationen
- Standard-SMILES
CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1- InChIKey
ZLMQZSUGKKTLJZ-UHFFFAOYSA-N- Summenformel
- C16H22N4O3
- Durchschnittliche Molmasse
- 318,37 g/mol
- Monoisotopische Masse
- 318,16919056
Namen und Bezeichner
- Bevorzugter Name
- tert-butyl 4-{2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
- Englischer Name
- 4-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
- Summenformel
- C16H22N4O3
- Molmasse
- 318.37
Namen und Synonyme
tert-Butyl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylatetert-butyl 4-{2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylatetert-butyl 4-(2-oxo-1H,2H,3H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylatetert-Butyl 4-(2-oxo-2,3-dihydro-1H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylateRefChem:893663616-594-5781649-87-4MFCD13184781tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate4-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester1-(1-Boc-4-piperidyl)-1H-imidazo[4,5-b]pyridin-2(3H)-onetert-Butyl 4-{2-oxo-1H,2H,3H-imidazo-[4,5-b]pyridin-1-yl}piperidine-1-carboxylate
Weitere Namen anzeigen
1-Piperidinecarboxylic acid, 4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-, 1,1-dimethylethyl ester
PQ2K8L9HVFSCHEMBL1197774SCHEMBL31192594DTXSID60624483ZLMQZSUGKKTLJZ-UHFFFAOYSA-NCS-B0403AKOS015917817BG-0067
Datenbank-Bezeichner
- CAS
781649-87-4- PubChem CID
- 22293220
- DTXSID
DTXSID60624483- UNII
- PQ2K8L9HVF
- EC Number
- 616-594-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 74,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 468
Physikochemische Eigenschaften
- Dichte
- 1.32 · 1.32
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 12.04 · 12.04±0.20(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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%)
Sicherheitsdaten
- hs_code
- 2933399990
Chemie und Industrie
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