1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile
Grundinformationen
- CAS
68612-94-2- Standard-SMILES
Cc1cc(=O)n(CCCOC(C)C)c(O)c1C#N- InChIKey
VSQJORHLXHADFP-UHFFFAOYSA-N- Summenformel
- C13H18N2O3
- Durchschnittliche Molmasse
- 250,29 g/mol
- Monoisotopische Masse
- 250,13174244
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile
- IUPAC
- 2-hydroxy-4-methyl-6-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
- Englischer Name
- 3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone
- Summenformel
- C13H18N2O3
- Molmasse
- 250.29
Namen und Synonyme
68612-94-2EC 411-990-21,2-Dihydro-6-hydroxy-4-methyl-1-(3-(1-methylethoxy)propyl)-2-oxo-3-pyridinecarbonitrile1,2-dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrileRefChem:71915411-990-21-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-PYRIDINECARBONITRILE3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone2-hydroxy-4-methyl-6-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-pyridine-3-carbonitrileSCHEMBL6244194DTXSID20579006
Weitere Namen anzeigen
2-oxo-3-pyridinecarbonitrile3-Cyano-4-methyl-6-hydroxy-N-(2-isopropoxypropyl)-2-pyridone1-Isoproxypropyl-1,2-Dihydro-6-Hydroxy-4-Methyl-2-Oxo-3-Pyri...3-PYRIDINECARBONITRILE, 1-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone ISO 9001：2015 REACH6-HYDROXY-1-(3-ISOPROPOXY-PROPYL)-4-METHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBONITRILE
PTPMVSMJQWEBHQ-UHFFFAOYSA-NVSQJORHLXHADFP-UHFFFAOYSA-NMFCD06658232AKOS015841703AC-22508NS000013993-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methylpyridone6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Datenbank-Bezeichner
- CAS
68612-94-2- PubChem CID
- 15868916
- DTXSID
DTXSID20579006- EC Number
- 411-990-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 73,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 440
Physikochemische Eigenschaften
- Siedepunkt
- 389.1 · 389.1±42.0 °C(Predicted)
- Dichte
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 3.76 · 3.76±0.58(Predicted)
- CAS Datenbank
- 68612 · 68612-94-2(CAS DataBase Reference)
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
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory InformationREACH registered substance: 1,2-dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile (EC: 411-990-2)
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Skin Sens. 1
Sicherheitsdaten
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 24-37
Chemie und Industrie
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