4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzyl alcohol

HCID 2795510

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Grundinformationen

CAS: 158985-37-6
Standard-SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(CO)cc2)CC1
InChIKey: PXKYXTXYWJKTSQ-UHFFFAOYSA-N
Summenformel: C16H24N2O3
Durchschnittliche Molmasse: 292,37 g/mol
Monoisotopische Masse: 292,17869263

Namen und Bezeichner

Bevorzugter Name: 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzyl alcohol
IUPAC: tert-butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylate
Englischer Name: tert-Butyl 4-[4-(hydroxymethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxylate
Summenformel: C16H24N2O3
Molmasse: 292.37

Namen und Synonyme

4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzyl alcohol4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzyl alcoholRefChem:513792641-231-2158985-37-6tert-Butyl 4-(4-(hydroxymethyl)phenyl)piperazine-1-carboxylateTERT-BUTYL 4-[4-(HYDROXYMETHYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATEtert-butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylateMFCD064115434-(1-Boc-piperazin-4-yl)phenylmethanol1-Piperazinecarboxylic acid, 4-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester1,1-Dimethylethyl 4-[4-(hydroxymethyl)phenyl]-1-piperazinecarboxylate

Weitere Namen anzeigen

BUTTPARK 98\06-994-(4-Boc-piperazin-1-yl)benzyl Alcohol1-(4-HYDROXYMETHYL-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER

4-(4-N-Boc-piperazinyl)benzyl alcohol[4-(4-tert-Butoxycarbonyl)piperazine]benzyl alcoholtert-butyl4-(4-(hydroxymethyl)phenyl)piperazine-1-carboxylateorb3176940SCHEMBL1136833DTXSID10383730PXKYXTXYWJKTSQ-UHFFFAOYSA-NXH1259

Datenbank-Bezeichner

CAS: 158985-37-6
PubChem CID: 2795510
DTXSID: DTXSID10383730
EC Number: 641-231-2
Nikkaji: J3.472.943C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 53 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 21
Formalladung: 0
Komplexität: 338

Physikochemische Eigenschaften

Schmelzpunkt: 109 °C · 109 °C
Siedepunkt: 452 · 452.0±45.0 °C(Predicted)
Dichte: 1.152 · 1.152±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: crystalline powder
pka: 15.05 · 15.05±0.10(Predicted)
Farbe: off-white to pale yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Sicherheitsdaten

hs_code: 2933599590
hazard_code: Xi
hazard_note: Harmful/Irritant

Chemie und Industrie

Anwendungen

Verwendentert-Butyl 4-(4-(Hydroxymethyl)phenyl)piperazine-1-carboxylate is used as a reactant in the preparation of 4-[(4-piperazinobeznoyl)amino]phenyl(oxy)alkanoates as fibrinogen receptor antagonists.