Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

HCID 735736

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Grundinformationen

CAS: 77279-24-4
Standard-SMILES: CC(C)(C)OC(=O)N1CCN(CCO)CC1
InChIKey: VRXIOAYUQIITBU-UHFFFAOYSA-N
Summenformel: C11H22N2O3
Durchschnittliche Molmasse: 230,3 g/mol
Monoisotopische Masse: 230,16304256

Namen und Bezeichner

Bevorzugter Name: Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
Englischer Name: tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
Summenformel: C11H22N2O3
Molmasse: 230.3

Namen und Synonyme

77279-24-4Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylateDTXSID20352816RefChem:383472DTXCID40303880627-816-51-Boc-4-(2-hydroxyethyl)piperazineMFCD00728947867359-85-1tert-butyl 4-(2-hydroxyethyl)tetrahydro-1(2h)-pyrazinecarboxylate1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 1,1-dimethylethyl ester1,1-Dimethylethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

Weitere Namen anzeigen

BUTTPARK 46\04-31Boc-Piperazine-OHBOC-N-(2-HYDROXYETHYL)PIPERAZINE1-Boc-4-(2-hydroxyethyl)-piperaziN-Boc-N’-(2-hydroxyethyl)-piperazine1-Boc-4-(2-hydroxyethyl)piperazine 97%N-BOC-Nzzhlxy-(2-hydroxyethyl)piperazinetert-Butyl 4-(2-hydroxyethyl)piperazine-1-4-(2-HYDROXYETHYL)PIPERAZINE-1-CARBOXYLATE

tert-butyl 4-(2-hydroxyethyl)piperazinecarboxylate1-Boc-4-(2-hydroxyethyl)-piperazineSCHEMBL39756N-Boc-4-hydroxyethylpiperazinetert-butyl 4-(2-hydroxyethyl)-1-piperazinecarboxylateSCHEMBL15474971VRXIOAYUQIITBU-UHFFFAOYSA-N4-(2-hydroxyethyl)piperazine-1-carboxylic acid tert-butyl ester

Datenbank-Bezeichner

CAS: 77279-24-4
PubChem CID: 735736
DTXSID: DTXSID20352816
EC Number: 627-816-5
Nikkaji: J1.180.089K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 53 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 230

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-42 °C
Siedepunkt: 114 °C · 114°C 0,1mm
Dichte: 1.092 · 1.092±0.06 g/cm3(Predicted)
Flammpunkt: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
pka: 14.96 · 14.96±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to pale brown
InChI: InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-12(5-7-13)8-9-14/h14H,4-9H2,1-3H3
InChIKey: VRXIOAYUQIITBU-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN(CCO)CC1
CAS Datenbank: 77279 · 77279-24-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (91.1%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2933599590
risk_code: 36/37/38-50-25
hazard_code: C,N,T
hazard_note: Irritant
safety_code: 26-36/37/39-61-45
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1