4-Cyano-4-methylbutanoic acid
Daten werden ergänzt – meist innerhalb einer Minute fertig
Grundinformationen
- CAS
23886-52-4- Standard-SMILES
CC(C#N)CCC(=O)O- InChIKey
XRUKRHLZDVJJSX-UHFFFAOYSA-N- Summenformel
- C6H9NO2
- Durchschnittliche Molmasse
- 127,14 g/mol
- Monoisotopische Masse
- 127,06332853
Namen und Bezeichner
- Bevorzugter Name
- 4-Cyano-4-methylbutanoic acid
- IUPAC
- 4-cyanopentanoic acid
Namen und Synonyme
4-cyano-4-methylbutanoic acidRefChem:522228863-336-44-cyanopentanoic Acid23886-52-44-cyano pentanoic acidSCHEMBL35490SCHEMBL223732XRUKRHLZDVJJSX-UHFFFAOYSA-NDTXSID801347360AKOS006380506EN300-90439
Datenbank-Bezeichner
- CAS
23886-52-4- PubChem CID
- 9898827
- DTXSID
DTXSID801347360- EC Number
- 863-336-4
- Nikkaji
- J1.224.490H
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 61,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 144
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
3
Notizen zur Verbindung
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