(S)-4-N-Boc-piperazine-2-carboxylic acid
Grundinformationen
- CAS
848482-93-9- Standard-SMILES
CC(C)(C)OC(=O)N1CCN[C@H](C(=O)O)C1- InChIKey
YRYAXQJXMBETAT-ZETCQYMHSA-N- Summenformel
- C10H18N2O4
- Durchschnittliche Molmasse
- 230,26 g/mol
- Monoisotopische Masse
- 230,12665706
Namen und Bezeichner
- Bevorzugter Name
- (S)-4-N-Boc-piperazine-2-carboxylic acid
- IUPAC
- (2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
- Englischer Name
- (S)-4-N-Boc-piperazine-2-carboxylic acid
- Summenformel
- C10H18N2O4
- Molmasse
- 230.26
Namen und Synonyme
(S)-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACIDRefChem:408051674-674-5848482-93-9(s)-1-boc-piperazine-3-carboxylic acid(s)-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid(S)-4-Boc-Piperazine-2-carboxylic acidMFCD021790981,3-Piperazinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (3S)-(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid(2S)-4-tert-butoxycarbonylpiperazine-2-carboxylic acid(S)-1-N-Boc-piperazine-3-carboxylic acid
Weitere Namen anzeigen
S-4-N-BOC-2-PIPERIDINE CARBOXYLIC ACIDS-4-N-BOC-2-CARBOXYLIC ACID PIPERAZINE4-BOC-PIPERAZINE-2-(S)-CARBOXYLIC ACID(S)-4-N-Boc-piperazine-2-carboxylic acid 96%1-(tert-Butyl) (3S)-1,3-piperazinedicarboxylateREF DUPL: (S)-4-N-Boc-piperazine-2-carboxylic acid
C10H18N2O4(s)-piperazine-1,3-dicarboxylic acid 1-tert-butyl ester1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3S)-s-bpcaSCHEMBL1184732DTXSID70363538YRYAXQJXMBETAT-ZETCQYMHSA-N(2S)-4-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,2
- Polarare Oberfläche (TPSA)
- 78,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 285
Physikochemische Eigenschaften
- Schmelzpunkt
- 231 · 231-239 ºC
- Siedepunkt
- 371.8 · 371.8±37.0 °C(Predicted)
- Dichte
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 2.2 · 2.20±0.20(Predicted)
- CAS Datenbank
- 848482 · 848482-93-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317 (92.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Sens. 1 (92.7%)
Sicherheitsdaten
- hs_code
- 2933599590
- risk_code
- 36-43
- hazard_code
- Xi
- safety_code
- 26-36/37
Chemie und Industrie
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Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
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