tert-Butyl (2R)-2-methylpiperazine-1-carboxylate

HCID 10262201CAS 170033-47-3

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Grundinformationen

Standard-SMILES: C[C@@H]1CNCCN1C(=O)OC(C)(C)C
InChIKey: DATRVIMZZZVHMP-MRVPVSSYSA-N
Summenformel: C10H20N2O2
Durchschnittliche Molmasse: 200,28 g/mol
Monoisotopische Masse: 200,15247789

Namen und Bezeichner

Bevorzugter Name: tert-Butyl (2R)-2-methylpiperazine-1-carboxylate
IUPAC: tert-butyl (2R)-2-methylpiperazine-1-carboxylate
Englischer Name: (R)-1-N-Boc-2-methylpiperazine
Summenformel: C10H20N2O2
Molmasse: 200.28

Namen und Synonyme

170033-47-3tert-butyl (2R)-2-methylpiperazine-1-carboxylateDTXSID90437487RefChem:382957DTXCID60388311640-907-4(R)-1-N-Boc-2-methylpiperazine(R)-1-Boc-2-Methylpiperazine(R)-tert-butyl 2-methylpiperazine-1-carboxylate(R)-1-BOC-2-METHYL-PIPERAZINE(r)-n-boc-2-methylpiperazine(R)-1-N-Boc-2-methyl piperazine

Weitere Namen anzeigen

(R)-2-METHYL-1-BOC-PIPERAZINE(N)-1-N-Boc-2-methyl-piperazine(R)-1-N-Boc-2-Methyl piperazine ,98%(2R)-2-Methylpiperazine, N1-BOC protectedTert-Butyl2(R)-methylpiperazine-1-carboxylate

MFCD018621201-Piperazinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, (2R)-tert-butyl (R)-2-methylpiperazine-1-carboxylate(R)-1-boc-methylpiperazine(R)-Boc-2-methylpiperazineSCHEMBL103217(R)-1-N-Boc-2-methyl pipera(R)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester

Datenbank-Bezeichner

CAS: 170033-47-3
PubChem CID: 10262201
DTXSID: DTXSID90437487
EC Number: 640-907-4
Nikkaji: J674.085E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 211

Physikochemische Eigenschaften

Schmelzpunkt: 34 · 34-36 °C
Siedepunkt: 268.7 · 268.7±15.0 °C(Predicted)
Dichte: 0.997 · 0.997±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: solid
pka: 8.49 · 8.49±0.40(Predicted)
Farbe: White crrystalline
InChI: InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKey: DATRVIMZZZVHMP-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCNC[C@H]1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 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 (100%)；STOT SE 3 (97.7%)

Sicherheitsdaten

ridadr: UN3077
hs_code: 2933599590
hazard_code: Xi

Chemie und Industrie

Anwendungen

Verwenden(R)-1-Boc-2-methylpiperazine is a reagent in the synthesis of potent and bioavailable inhibitors of Na+/H+ enxchanger type 3 used in the treatment of sleep apneas.