(R)-1-Boc-3-methylpiperazine

HCID 2756811CAS 163765-44-4

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Grundinformationen

Standard-SMILES: C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1
InChIKey: FMLPQHJYUZTHQS-MRVPVSSYSA-N
Summenformel: C10H20N2O2
Durchschnittliche Molmasse: 200,28 g/mol
Monoisotopische Masse: 200,15247789

Namen und Bezeichner

Bevorzugter Name: (R)-1-Boc-3-methylpiperazine
IUPAC: tert-butyl (3R)-3-methylpiperazine-1-carboxylate
Englischer Name: (R)-1-Boc-3-methylpiperazine
Summenformel: C10H20N2O2
Molmasse: 200.28

Namen und Synonyme

(R)-1-Boc-3-methylpiperazineRefChem:407122627-658-7163765-44-4(R)-4-N-Boc-2-methylpiperazinetert-butyl (3R)-3-methylpiperazine-1-carboxylate(R)-4-Boc-2-methylpiperazine(r)-1-boc-3-methyl-piperazine(r)-4-n-boc-2-methyl-piperazine(r)-tert-butyl 3-methylpiperazine-1-carboxylateMFCD02683205TERT-BUTYL (R)-3-METHYLPIPERAZINE-1-CARBOXYLATE

Weitere Namen anzeigen

CAS:163765-44-4(R)-4-Boc-2-Methylpi(R)-N-BOC-2-METHYLPIPERAZINE(R)-N4-BOC-2-METHYLPIPERAZINE

1-PIPERAZINECARBOXYLIC ACID, 3-METHYL-, 1,1-DIMETHYLETHYL ESTER, (3R)-(r)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester1,1-dimethylethyl (3R)-3-methyl-1-piperazinecarboxylate(3r)-1-boc-3-methylpiperazine(R)-4-Boc-2-methyl piperazine2BDT5MCJ7CSCHEMBL105348orb2940201

Datenbank-Bezeichner

CAS: 163765-44-4
PubChem CID: 2756811
DTXSID: DTXSID70373556
UNII: 2BDT5MCJ7C
EC Number: 627-658-7
Nikkaji: J2.822.173H

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: 40 · 40-45 °C
Siedepunkt: 268.7 · 268.7±15.0 °C(Predicted)
Dichte: 0.997 · 0.997±0.06 g/cm3(Predicted)
Flammpunkt: 223 °F · 223 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.52 · 8.52±0.40(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White
InChI: InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKey: FMLPQHJYUZTHQS-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN[C@H](C)C1
CAS Datenbank: 163765 · 163765-44-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (86%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (14%): 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]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 50 reports by companies from 10 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 Dam. 1 (86%)；Eye Irrit. 2 (14%)；STOT SE 3 (98%)

Sicherheitsdaten

F: 10-34
wgk: 3
hs_code: 29335990
risk_code: 37/38-41-36/37/38
hazard_code: Xi
safety_code: 26-39-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(R)-4-Boc-2-methylpiperazine is a reagent used in organic synthesis. Used in the synthesis of orally bioavailable inhibitors of 11-β-hydroxysteroid. (R)-4-Boc-2-methylpiperazine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.