Grundinformationen
- Standard-SMILES
COc1ccc(C2(C#N)CCC(=O)CC2)cc1OC1CCCC1- InChIKey
URXUAYQZIDJXGT-UHFFFAOYSA-N- Summenformel
- C19H23NO3
- Durchschnittliche Molmasse
- 313,4 g/mol
- Monoisotopische Masse
- 313,1677936
Namen und Bezeichner
- Bevorzugter Name
- SB-200473
- IUPAC
- 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-oxocyclohexane-1-carbonitrile
Namen und Synonyme
152630-47-2QN1VGX3BLLSB-2004734-CYANO-4-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL)CYCLOHEXAN-1-ONECYCLOHEXANECARBONITRILE, 1-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL)-4-OXO-4-Cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexan-1-oneRefChem:202946427-450-4EC 427-450-4UNII-QN1VGX3BLL1-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL)-4-OXOCYCLOHEXANECARBONITRILECHEMBL352628
Weitere Namen anzeigen
Cyclohexanecarbonitrile,1-[3-(cyclopentyloxy)-4-methoxyphenyl]-4-oxo-4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one4-cyano-4-[3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-oneSCHEMBL5495203DTXSID70432031BDBM50472193AKOS015966299NS00001294
Datenbank-Bezeichner
- CAS
152630-47-2- PubChem CID
- 9861604
- DTXSID
DTXSID70432031- ChEMBL
CHEMBL352628- UNII
- QN1VGX3BLL
- EC Number
- 427-450-4
- Nikkaji
- J739.479I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 59,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 464
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P319, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P319, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9504
Hazard Classes and Categories
Acute toxicity - category 4
Acute Tox. 4 *
Zugehörige Reaktionen
19
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