5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester
Grundinformationen
- CAS
190900-21-1- Standard-SMILES
CC(C)(C)OC(=O)N1CCNC(=O)CC1- InChIKey
GLJYPTWEXBUATJ-UHFFFAOYSA-N- Summenformel
- C10H18N2O3
- Durchschnittliche Molmasse
- 214,26 g/mol
- Monoisotopische Masse
- 214,13174244
Namen und Bezeichner
- Bevorzugter Name
- 5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-oxo-1,4-diazepane-1-carboxylate
- Englischer Name
- 1-N-Boc-5-oxo-1,4-diazepane
- Summenformel
- C10H18N2O3
- Molmasse
- 214.26
Namen und Synonyme
5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl esterRefChem:537551676-062-3190900-21-1tert-butyl 5-oxo-1,4-diazepane-1-carboxylateMFCD041153191-n-boc-5-oxo-1,4-diazepane1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1-dimethylethyl ester1-Boc-1,4-diazepan-5-onetert-butyl 5-oxo-[1,4]diazepan-1-carboxylateA1-00370
Weitere Namen anzeigen
ic Acid Tert-ButyLN-Boc-1,4-diazepan-5-oneN1-BOC-5-oxo-1,4-diazepane5-Oxo-[1,4]Diazepane-1-CarboxyL1,4-Diazepan-5-one, N1-Boc protectedHomopiperazin-5-one, N1-BOC protectedtert-Butyl-5-oxo-1,4-diazepan-1-carboxylat
5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butylester1-BOC-5-OXO-[1,4]DIAZEPANEA4210BB 0260511SCHEMBL3275625-Oxo-[1,4]diazepane-1-carboxylicacidtert-butylesterSCHEMBL27941545-Oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 58,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 258
Physikochemische Eigenschaften
- Siedepunkt
- 373.1 · 373.1±35.0 °C(Predicted)
- Dichte
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 16.06 · 16.06±0.20(Predicted)
- InChI
- InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13)
- InChIKey
- GLJYPTWEXBUATJ-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(=O)NCC1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 2933998090
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Verwenden1-N-Boc-5-oxo-1,4-diazepane is a 1,4-diazepane derivatives compound，used as sigma receptor ligands in antipsychotics, antiamnesics, and against other neurodegenerative disorders as well as neuroprotective agents.[1]
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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上海康恩博医药科技有限公司17510465506 · [email protected]
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苏州道澜生物医药科技有限公司15952404857 · [email protected]
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