tert-Butyl 4-(methylamino)piperidine-1-carboxylate

HCID 15380702

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Grundinformationen

CAS: 147539-41-1
Standard-SMILES: CNC1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: CZYUGTLMFHDODF-UHFFFAOYSA-N
Summenformel: C11H22N2O2
Durchschnittliche Molmasse: 214,3 g/mol
Monoisotopische Masse: 214,16812795

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 4-(methylamino)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(methylamino)piperidine-1-carboxylate
Englischer Name: 1-Boc-4-Methylaminopiperidine
Summenformel: C11H22N2O2
Molmasse: 214.31

Namen und Synonyme

147539-41-1tert-butyl 4-(methylamino)piperidine-1-carboxylateDTXSID80572210RefChem:893881DTXCID30522982626-457-11-Boc-4-methylaminopiperidine1-boc-4-(methylamino)piperidine1-Boc-4-methylaminopieridineN-Boc-4-methylaminopieridineMFCD022594114-methylamino-piperidine-1-carboxylic acid tert-butyl ester

Weitere Namen anzeigen

CAS:147539-41-1BUTTPARK 90\06-114-N-METHYLAMINO-1-BOC-PIPERIDINEN-BOC-4-N-METHYLAMINO PIPERIDINE1-N-BOC-4-(METHYLAMINO)PIPERIDINE

4-(Methylamino)piperidine-1-carboxylic acid tert-butyl ester4-(methylamino)piperidine, n1-boc protected4-methylamino-1-tert-butoxycarbonylpiperidine4-methylamino-1-tert-butoxycarbonyl-piperidineEN300-388824-Methylamino-1-piperidinecarboxylic Acid tert-Butyl Estertert-butyl 4-(methylamino)piperidinecarboxylaten-boc-4-methylaminopiperidine

Datenbank-Bezeichner

CAS: 147539-41-1
PubChem CID: 15380702
DTXSID: DTXSID80572210
ChEMBL: CHEMBL4581498
EC Number: 626-457-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 215

Physikochemische Eigenschaften

Siedepunkt: 289 · 289.0±33.0 °C(Predicted)
Dichte: 1.005 g/mL · 1.005 g/mL at 25 °C
Brechungsindex: 20 · n20/D1.468
Flammpunkt: 110 ℃ · >110℃
storage temp.: 2 · 2-8°C
pka: 10.19 · 10.19±0.20(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13/h9,12H,5-8H2,1-4H3
InChIKey: CZYUGTLMFHDODF-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(NC)CC1
CAS Datenbank: 147539 · 147539-41-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (86%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (84%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 50 reports by companies from 8 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 (86%)；Skin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (96%)；Aquatic Acute 1 (84%)

Sicherheitsdaten

F: 10-34
wgk: 3
ridadr: 2810
hs_code: 29339900
risk_code: 36/37/38-50-25
hazard_code: Xi,N,T
safety_code: 26-61-45-36/37/39
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3