N,N'-Dicyclohexylurea

HCID 4277CAS 2387-23-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NC1CCCCC1)NC1CCCCC1
InChIKey
ADFXKUOMJKEIND-UHFFFAOYSA-N
Molecular formula
C13H24N2O
Average molar mass
224.34 g/mol
Monoisotopic mass
224.18886339

Overview

1,3-dicyclohexylurea is a member of ureas.

Names & identifiers

Preferred name
N,N'-Dicyclohexylurea
IUPAC
1,3-dicyclohexylurea
English name
N,N'-DICYCLOHEXYLUREA
Molecular formula
C13H24N2O
Molecular weight
224.34

Names & synonyms

1,3-Dicyclohexylurean,n'-dicyclohexylurea2387-23-7ZV7823VVIMNSC-17013NSC-30023DCU compoundRefChem:414332219-213-7DicyclohexylureaUrea, N,N'-dicyclohexyl-MFCD00003829
Show more names
Indapamide Impurity 1NSC 30023NSC 17013AURORA KA-3582Lomustine USP RC CLomustine Impurity CLomustine Impurity 3
C13H24N2Odicylohexyl ureadicyclohexyl ureaUrea, 1,3-dicyclohexyl-DICYCLOHEXYLCARBODIAMIDEUrea,3-dicyclohexyl-N,N,-DicyclohexylureaN.N' - dicyclohexylurea

Database identifiers

CAS
2387-23-7
PubChem CID
4277
DTXSID
DTXSID3062366
ChEMBL
CHEMBL1458
ChEBI
CHEBI:93429
UNII
ZV7823VVIM
EC Number
219-213-7
Nikkaji
J80.467C

Properties

Computed structural properties

XLogP
3
Topological polar surface area
41.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
16

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
PolymersRubber
SpringerMaterials PropertiesCrystal structure
Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
232 · 232-233 °C(lit.)
Boiling point
408 ℃ · 408℃
Density
1.02 · 1.02
refractive index
1.4832 · 1.4832 (estimate)
Flash point
158 ℃ · 158℃
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory InformationRegulation (EC) No 1107/2009 (amended)
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Tetramethylurea.
Hazard Classes and CategoriesFlam. Sol. 1 (28.9%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29242100
risk_code
22-51/53
Signal word
Warning

Chemistry & industry

Uses & manufacturing

UsesDegradation product of 1-(2-chloroethyl)-3- cyclohexyl-1-nitrosourea. [ChemIDplus]
General Manufacturing InformationUrea, N,N'-dicyclohexyl-: ACTIVE

Applications

UsesN,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.

Preparation methods · 1 item

PreparationAn 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).

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Additional notes

DefinitionChEBI: 1,3-dicyclohexylurea is a member of ureas.

Related reactions

377 records
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Linked notes

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