3-(Boc-amino)piperidine

HCID 4233041CAS 172603-05-3

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Grundinformationen

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 Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 50,4 Å²
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

GHS-Klassifizierung

GHS Classification · 5 Einträge

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
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3

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.