1-Benzyl-3-oxopiperazine
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Grundinformationen
- CAS
13754-41-1- Standard-SMILES
O=C1CN(Cc2ccccc2)CCN1- InChIKey
SBWVHKNCFZRBRJ-UHFFFAOYSA-N- Summenformel
- C11H14N2O
- Durchschnittliche Molmasse
- 190,24 g/mol
- Monoisotopische Masse
- 190,11061307
Namen und Bezeichner
- Bevorzugter Name
- 1-Benzyl-3-oxopiperazine
- IUPAC
- 4-benzylpiperazin-2-one
- Englischer Name
- 1-BENZYL-3-OXOPIPERAZINE
- Summenformel
- C11H14N2O
- Molmasse
- 190.24
Namen und Synonyme
1-Benzyl-3-oxopiperazineRefChem:429885625-741-24-benzylpiperazin-2-one13754-41-12-Piperazinone, 4-(phenylmethyl)-MFCD06795962Piperazinone, 4-(phenylmethyl)-4-Benzyl-piperazin-2-one4-(phenylmethyl)piperazinoneSCHEMBL220097orb3029553
Weitere Namen anzeigen
1-Benzyl-3-oxopiperazin4-benzyl-2-piperazinone1-Benzoyl-3-oxopiperazine4-(PHENYLMETHYL)-2-PIPERAZINONE1-Benzyl-3-Oxopiperazine(WX619005)
DTXSID00466485PDK00641-Benzyl-3-oxopiperazine, 95%SBWVHKNCFZRBRJ-UHFFFAOYSA-NSTL290442AKOS005287411CS-W015882SB12579
Datenbank-Bezeichner
- CAS
13754-41-1- PubChem CID
- 11458177
- DTXSID
DTXSID00466485- EC Number
- 625-741-2
- Nikkaji
- J1.672.702D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 199
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 · 148-155 °C
- Siedepunkt
- 366.6 · 366.6±35.0 °C(Predicted)
- Dichte
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- solid
- pka
- 15.11 · 15.11±0.20(Predicted)
- InChI
- 1S/C11H14N2O/c14-11-9-13(7-6-12-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14)
- InChIKey
- SBWVHKNCFZRBRJ-UHFFFAOYSA-N
- SMILES
- O=C1CN(CCN1)Cc2ccccc2
- CAS Datenbank
- 13754 · 13754-41-1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): 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 (100%): 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 40 reports by companies from 3 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenUsed in a copper-catalyzed amidation of an aryl bromide.
Anbieter49 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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