1-Boc-3,3-dimethylpiperazine

HCID 22710387

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Grundinformationen

CAS: 259808-67-8
Standard-SMILES: CC1(C)CN(C(=O)OC(C)(C)C)CCN1
InChIKey: LBAIYWWWORXVEQ-UHFFFAOYSA-N
Summenformel: C11H22N2O2
Durchschnittliche Molmasse: 214,3 g/mol
Monoisotopische Masse: 214,16812794

Namen und Bezeichner

Bevorzugter Name: 1-Boc-3,3-dimethylpiperazine
IUPAC: tert-butyl 3,3-dimethylpiperazine-1-carboxylate
Englischer Name: 1-Boc-3,3-dimethylpiperazine
Summenformel: C11H22N2O2
Molmasse: 214.3

Namen und Synonyme

1-Boc-3,3-dimethylpiperazineRefChem:430068801-223-3259808-67-8tert-butyl 3,3-dimethylpiperazine-1-carboxylateMFCD073716511-PIPERAZINECARBOXYLIC ACID, 3,3-DIMETHYL-, 1,1-DIMETHYLETHYL ESTER1-Boc-3,3-dimethypiperazine3,3-DIMETHYLPIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERDTXSID40627679AKOS005264975CS-W008758

Weitere Namen anzeigen

1096781-(tert-butoxycarbinyl)-3,3-dimethyl-piperazine 97%3,3-Dimethyl-1-piperazinecarboxylic acid tert-butyl ester3,3-dimethyl-1-Piperazinecarboxylic acid 1,1-dimethylethyl ester (9CI ACI)1-Piperazinecarboxylic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester (9CI, ACI)

NCGC00374401-011-BOC-3,3-DIMETHYL-PIPERAZINEZ2551510583,3-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERBCP25802A5173FT-0650516SCHEMBL221595

Datenbank-Bezeichner

CAS: 259808-67-8
PubChem CID: 22710387
DTXSID: DTXSID40627679
EC Number: 801-223-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 243

Physikochemische Eigenschaften

Siedepunkt: 275.1 · 275.1±15.0 °C(Predicted)
Dichte: 0.977 · 0.977±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.58 · 8.58±0.40(Predicted)
InChI: InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3
InChIKey: LBAIYWWWORXVEQ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCNC(C)(C)C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.