7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile
Grundinformationen
- CAS
42940-56-7- Standard-SMILES
N#CC1C(=O)NC(=O)C(C#N)C12CCCC2- InChIKey
USIMPDHJLHKMKA-UHFFFAOYSA-N- Summenformel
- C11H11N3O2
- Durchschnittliche Molmasse
- 217,22 g/mol
- Monoisotopische Masse
- 217,0851266
Namen und Bezeichner
- Bevorzugter Name
- 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile
- IUPAC
- 7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile
- Englischer Name
- 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile, 98%, mixt. (+/-)/meso
- Summenformel
- C11H11N3O2
- Molmasse
- 217.22
Namen und Synonyme
7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrileRefChem:54490342940-56-7MFCD00012103MLS0031714798-Azaspiro[4.5]decane-6,10-dicarbonitrile, 7,9-dioxo-7,9-DIOXO-8-AZASPIRO(4.5)DECANE-6,10-DICARBONITRILE, 98%, MIXT. (+/-)/MESONSC 400097NSC-400097NSC400097Buspirone Impurity 03
Weitere Namen anzeigen
TEDI-001Buspirone Impurity 12Bispyrimidinyl Piperazine7,9-dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitri7,9-diketo-8-azaspiro[4.5]decane-6,10-dicarbonitrile7,9-DIOXO-8-AZASPIRO(4.5)DECANE-6,10-DICARBONITRILE)7,9-Dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile,mixture of (? and meso
Buspirone Impurity 34SCHEMBL8423510Y9WBM9J743CHEMBL2131375DTXSID80321962ALBB-014274SBB056899AKOS000521045
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 93,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 408
Physikochemische Eigenschaften
- Schmelzpunkt
- 182 · 182-185 °C(lit.)
- Siedepunkt
- 558.2 · 558.2±50.0 °C(Predicted)
- Dichte
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 16.7 · 16.70±0.60(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
Chemie und Industrie
Anbieter15 Anbieter
济南百隆化学有限公司[email protected] · [email protected]
奥夫仑医药（四川）有限公司17336178085 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
浙江泽天精细化工有限公司0571-87682782 18957127338 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
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