3-(Boc-amino)piperidine
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Grundinformationen
- CAS
172603-05-3- Standard-SMILES
CC(C)(C)OC(=O)NC1CCCNC1- InChIKey
WUOQXNWMYLFAHT-UHFFFAOYSA-N- Summenformel
- C10H20N2O2
- Durchschnittliche Molmasse
- 200,28 g/mol
- Monoisotopische Masse
- 200,15247789
Namen und Bezeichner
- Bevorzugter Name
- 3-(Boc-amino)piperidine
- IUPAC
- tert-butyl N-piperidin-3-ylcarbamate
- Englischer Name
- 3-N-Boc-aminopiperidine
- Summenformel
- C10H20N2O2
- Molmasse
- 200.28
Namen und Synonyme
3-(boc-amino)piperidineRefChem:494340676-009-4172603-05-33-Boc-aminopiperidine3-N-Boc-aminopiperidinetert-butyl piperidin-3-ylcarbamatetert-butyl N-(piperidin-3-yl)carbamateTert-butyl N-(3-piperidyl)carbamate3-N-Boc-amino piperidine3-(N-Boc-amino)piperidinetert-butyl N-piperidin-3-ylcarbamate
Weitere Namen anzeigen
N-(3-piperidinyL3-N-Boc-aMinopiperidAlogliptin Impurity 523-(Boc-amino)piperidine,97%(+/-)-3-N-BOC-AMINO-PIPERIDINE3-AMINOPIPERIDINE, 3-BOC PROTECTED3-Aminopiperidine,3-BOCprotected97%
piperidin-3-yl-carbamic acid tert-butyl ester3-(tert-butoxycarbonylamino)piperidinetert-butyl n-(3-piperidinyl)carbamateMFCD038399413-(N-Boc-amino) piperidineCARBAMIC ACID, 3-PIPERIDINYL-, 1,1-DIMETHYLETHYL ESTER3-tert-butoxycarbonylaminopiperidineN-3-Piperidinylcarbamic Acid 1,1-Dimethylethyl Ester
Datenbank-Bezeichner
- CAS
172603-05-3- PubChem CID
- 4233041
- DTXSID
DTXSID50401088- UNII
- B29HA4XG3X
- EC Number
- 676-009-4
- Nikkaji
- J2.494.121C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 50,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 199
Physikochemische Eigenschaften
- Schmelzpunkt
- 102 · 102-108°C
- Siedepunkt
- 304.8 · 304.8±31.0 °C(Predicted)
- Dichte
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO, Methanol
- Aggregatzustand
- Crystalline Powder
- pka
- 12.37 · 12.37±0.20(Predicted)
- Farbe
- White
- InChI
- InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)
- InChIKey
- WUOQXNWMYLFAHT-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NC1CCCNC1
- CAS Datenbank
- 172603 · 172603-05-3(CAS DataBase Reference)
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 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (79.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 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 (98%)；STOT SE 3 (98%)；Aquatic Acute 1 (79.6%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29333990
- risk_code
- 36/37/38-50/53
- hazard_code
- Xi,N
- safety_code
- 26-36/37/39-61-60
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
VerwendenN-3-Piperidinylcarbamic Acid 1,1-Dimethylethyl Ester is used in the synthesis of highly selective spleen tyrosine kinase inhibitors. Also used in the synthesis of a potent NHE1 inhibitor displaying cardioprotective effects.
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