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ChemicalBook--->CAS DataBase List--->2387-23-7

2387-23-7

2387-23-7 Structure

2387-23-7 Structure
IdentificationMore
[Name]

N,N'-DICYCLOHEXYLUREA
[CAS]

2387-23-7
[Synonyms]

1,3-DICYCLOHEXYLUREA
AURORA KA-3582
CYCLOHEXYLUREA
DCU
N,N'-DICYCLOHEXYLUREA
n,n’-dicyclohexyl-ure
N,N,-Dicyclohexylurea98.%
Dicyclohexylcarbodiamide
N,N'-Carbonylbis(cyclohexanamine)
[EINECS(EC#)]

219-213-7
[Molecular Formula]

C13H24N2O
[MDL Number]

MFCD00003829
[Molecular Weight]

224.34
[MOL File]

2387-23-7.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

232-233 °C(lit.)
[Boiling point ]

408℃
[density ]

1.02
[refractive index ]

1.4832 (estimate)
[Fp ]

158℃
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly)
[form ]

Liquid
[pka]

13.89±0.20(Predicted)
[color ]

Clear
[Stability:]

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 DataBase Reference]

2387-23-7(CAS DataBase Reference)
[EPA Substance Registry System]

Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

R22:Harmful if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29242100
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Methyl-1-butanol-->Cyclohexylamine-->TRILINOLENIN-->gamma-Linolenic acid-->Isocyanatocyclohexane
[Preparation Products]

Dicyclohexylcarbodiimide-->N,N'-DICYCLOHEXYLOXAMIDE-->1-cyclohexylaminopropan-2-ol-->Bisphenol A-->5-DIAZOMELDRUM'S ACID-->Ethyl N-cyclohexylurethane-->L-Alanyl-L-proline-->N-Methylcyclohexylamine
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

N,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.
[Definition]

ChEBI: 1,3-dicyclohexylurea is a member of ureas.
[Preparation]

An 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).
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 61, p. 4175, 1996 DOI: 10.1021/jo9522825
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

N,N'-DICYCLOHEXYLUREA(2387-23-7)MS
N,N'-DICYCLOHEXYLUREA(2387-23-7)1HNMR
N,N'-DICYCLOHEXYLUREA(2387-23-7)13CNMR
N,N'-DICYCLOHEXYLUREA(2387-23-7)IR1
N,N'-DICYCLOHEXYLUREA(2387-23-7)IR2
N,N'-DICYCLOHEXYLUREA(2387-23-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

[Alfa Aesar]

[Sigma Aldrich]

2387-23-7(sigmaaldrich)
[TCI AMERICA]

1,3-Dicyclohexylurea,>98.0%(GC)(T)(2387-23-7)
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