4-Morpholinebutanenitrile

HCID 294574

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Grundinformationen

CAS: 5807-11-4
Standard-SMILES: N#CCCCN1CCOCC1
InChIKey: DNHBZJPTXSALLZ-UHFFFAOYSA-N
Summenformel: C8H14N2O
Durchschnittliche Molmasse: 154,21 g/mol
Monoisotopische Masse: 154,11061307

Namen und Bezeichner

Bevorzugter Name: 4-Morpholinebutanenitrile
IUPAC: 4-morpholin-4-ylbutanenitrile
Englischer Name: 4-Morpholinobutyronitrile
Summenformel: C8H14N2O
Molmasse: 154.21

Namen und Synonyme

5807-11-44-Morpholinebutanenitrile4-MORPHOLINEBUTYRONITRILEDTXSID80303900RefChem:525757DTXCID40255032654-592-64-morpholinobutanenitrile4-morpholin-4-ylbutanenitrile4-(morpholin-4-yl)butanenitrile4-morpholinobutyronitrileMFCD00023393

Weitere Namen anzeigen

4-(1,4-oxazinan-4-yl)butanenitrile

4-(4-morpholinyl)butanenitrileNSC-1633774-Morpholinobutanenitrile; 4-Morpholinobutyronitrile; NSC 1633774-Morpholin-4-Yl-ButyronitrileNSC163377JXB4BZ258KSCHEMBL149409DNHBZJPTXSALLZ-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 5807-11-4
PubChem CID: 294574
DTXSID: DTXSID80303900
UNII: JXB4BZ258K
EC Number: 654-592-6
Nikkaji: J2.446.119J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 36,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 143

Physikochemische Eigenschaften

Siedepunkt: 142 °C · 142 °C(Press: 15 Torr)
Dichte: 1.0031 g/cm3 · 1.0031 g/cm3
storage temp.: Sealed in dry,Room Temperature
pka: 6.82 · 6.82±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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.；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.