Methyl 4-Boc-piperazine-2-acetate

HCID 2756816

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 183742-33-8
Standard-SMILES: COC(=O)CC1CN(C(=O)OC(C)(C)C)CCN1
InChIKey: VLMVFRLASKOYKX-UHFFFAOYSA-N
Summenformel: C12H22N2O4
Durchschnittliche Molmasse: 258,31 g/mol
Monoisotopische Masse: 258,15795718

Namen und Bezeichner

Bevorzugter Name: Methyl 4-Boc-piperazine-2-acetate
IUPAC: tert-butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate
Englischer Name: N-4-Boc-2-piperazineacetic acid methyl ester
Summenformel: C12H22N2O4
Molmasse: 258.31

Namen und Synonyme

Methyl 4-Boc-piperazine-2-acetateRefChem:816211672-494-1183742-33-8tert-butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylateN-4-Boc-2-piperazineacetic acid methyl esterMFCD018612133-methoxycarbonylmethyl-piperazine-1-carboxylic acid tert-butyl estertert-butyl 3-(2-methoxy-2-oxo-ethyl)piperazine-1-carboxylatemethyl 2-{4-[(tert-butyl)oxycarbonyl]piperazin-2-yl}acetatemethyl piperazin-2-ylacetate, n4-boc protectedSCHEMBL656518

Weitere Namen anzeigen

tert-butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylateMethyl N-4-BOC-2-piperazineacetateMethyl 2-(4-Boc-2-piperazinyl)acetate4-Boc-azine-2-acetic acidmethyl ester1-Boc-3-(2-methoxy-2-oxoethyl)piperazineN-4-Boc-2-Piperizineaceticacid methyl ester4-N-BOC-PIPERAZINE-2-ACETIC ACID METHYL ESTER

(S)-TERT-BUTYL 3-(2-METHOXY-2-OXOETHYL)PIPERAZINE-1-CARBOXYLATEDTXSID50373559VLMVFRLASKOYKX-UHFFFAOYSA-NAC-599SBB0540112-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-, methyl esterAKOS005146160AB22683

Datenbank-Bezeichner

CAS: 183742-33-8
PubChem CID: 2756816
DTXSID: DTXSID50373559
EC Number: 672-494-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 67,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 5
Schwere Atome: 18
Formalladung: 0
Komplexität: 312

Physikochemische Eigenschaften

Siedepunkt: 336.2 · 336.2±17.0 °C(Predicted)
Dichte: 1.08 g/ml · 1.08g/ml
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: slush / oil
pka: 7.26 · 7.26±0.40(Predicted)
Farbe: Brown
InChI: InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13-9(8-14)7-10(15)17-4/h9,13H,5-8H2,1-4H3
InChIKey: VLMVFRLASKOYKX-UHFFFAOYSA-N
SMILES: N1CCN(C(OC(C)(C)C)=O)CC1CC(OC)=O
CAS Datenbank: 183742 · 183742-33-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.