Grundinformationen
- Standard-SMILES
O=C(NC1CCCCC1)NC1CCCCC1- InChIKey
ADFXKUOMJKEIND-UHFFFAOYSA-N- Summenformel
- C13H24N2O
- Durchschnittliche Molmasse
- 224,34 g/mol
- Monoisotopische Masse
- 224,18886339
Überblick
1,3-dicyclohexylurea is a member of ureas.
Namen und Bezeichner
- Bevorzugter Name
- N,N'-Dicyclohexylurea
- IUPAC
- 1,3-dicyclohexylurea
- Englischer Name
- N,N'-DICYCLOHEXYLUREA
- Summenformel
- C13H24N2O
- Molmasse
- 224.34
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2387-23-7- PubChem CID
- 4277
- DTXSID
DTXSID3062366- ChEMBL
CHEMBL1458- ChEBI
CHEBI:93429- UNII
- ZV7823VVIM
- EC Number
- 219-213-7
- Nikkaji
- J80.467C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 41,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 196
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 232 · 232-233 °C(lit.)
- Siedepunkt
- 408 ℃ · 408℃
- Dichte
- 1.02 · 1.02
- Brechungsindex
- 1.4832 · 1.4832 (estimate)
- Flammpunkt
- 158 ℃ · 158℃
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly, Heated), Methanol (Slightly)
- pka
- 13.89 · 13.89±0.20(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Clear
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
- InChIKey
- ADFXKUOMJKEIND-UHFFFAOYSA-N
- SMILES
- N(C1CCCCC1)C(NC1CCCCC1)=O
- CAS Datenbank
- 2387 · 2387-23-7(CAS DataBase Reference)
- EPA chemische Informationen
- N,N'-Dicyclohexylurea (2387-23-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.3% (1 of 76) of reports.
Danger
H228 (28.9%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P264, P270, P280, P301+P317, P330, P370+P378, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29242100
- risk_code
- 22-51/53
- hazard_code
- Xn,N
- safety_code
- 61
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenN,N''-Dicyclohexylurea,is a substituted Urea (U822500) compound, which has shown to be a potent inhibitor of juvenile hormone epoxide hydrolase (JHEH) of the tobacco hornworm M. sexta. Lomustine USP Related Compound C.
Darstellung
synthetischeAn excess of dry ice (200 g) was added gradually to a solution of dicyclohexylcarbodiimide (2.06 g, 0.01 mol), cyclohexylamine (1.98 g, 0.02 mol), and triethylamine (2.2 g, 0.02 mol) in THF at 75 ℃ over a period of 8 h. After stirring for 8 h, the reaction mixture was concentrated under reduced pressure and the resultant precipitate was collected. Fractional recrystallization of the precipitate from acetone/methanol gave N,N'-dicyclohexylurea; yield 2.2 g (98% based on dicyclohexylcarbodiimide and cyclohexylamine).
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