tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate

HCID 11011301

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 170911-92-9
Standard-SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)CC1
InChIKey: RXFHRKPNLPBDGE-UHFFFAOYSA-N
Summenformel: C15H23N3O2
Durchschnittliche Molmasse: 277,36 g/mol
Monoisotopische Masse: 277,17902698

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate
Englischer Name: 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester
Summenformel: C15H23N3O2
Molmasse: 277.36

Namen und Synonyme

170911-92-9Tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylateDTXSID20451853RefChem:383498DTXCID10402672858-140-04-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester1-BOC-4-(4-AMINOPHENYL)PIPERAZINE4-(4-Boc-piperazin-1-yl)anilineMFCD041150651-Boc-4-(4-amino-phenyl)-piperazine4-(4-Aminophenyl)-piperazine-1-carboxylic acid tert-butyl ester

Weitere Namen anzeigen

Itraconazole Impurity 541-Boc-4-(4-aminophenyl)azine1-BOC-4-(4'-AMINOPHENYL)PIPERAZINE4-(4-Aminophenyl)piperazine, N1-BOC protected4-(4-aminophenyl)-1-t-butyloxycarbonylpiperazine4-(4-Aminophenyl)piperazine, N1-BOC protected 98%t-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate

4-[4-aminophenyl]-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL55667Tert-butyl4-(4-aminophenyl)piperazine-1-carboxylateSCHEMBL6755296RXFHRKPNLPBDGE-UHFFFAOYSA-NALBB-030096EBC-80154AKOS009506204

Datenbank-Bezeichner

CAS: 170911-92-9
PubChem CID: 11011301
DTXSID: DTXSID20451853
EC Number: 858-140-0
Nikkaji: J1.233.062F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 58,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 20
Formalladung: 0
Komplexität: 325

Physikochemische Eigenschaften

Siedepunkt: 441.1 · 441.1±40.0 °C(Predicted)
Dichte: 1.145 · 1.145±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 7.69 · 7.69±0.10(Predicted)
Aggregatzustand: Solid
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11,16H2,1-3H3
InChIKey: RXFHRKPNLPBDGE-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN(C2=CC=C(N)C=C2)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.