Cyclohexylurea

HCID 69684

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Basic information

CAS: 698-90-8
Standard SMILES: NC(=O)NC1CCCCC1
InChIKey: WUESWDIHTKHGQA-UHFFFAOYSA-N
Molecular formula: C7H14N2O
Average molar mass: 142.2 g/mol
Monoisotopic mass: 142.11061307

Names & identifiers

Preferred name: Cyclohexylurea
IUPAC: cyclohexylurea
English name: Cyclohexylurea
Molecular formula: C7H14N2O
Molecular weight: 142.2

Names & synonyms

Cyclohexylurea1-CyclohexylureaN-CyclohexylureaUrea, cyclohexyl-Urea, N-cyclohexyl-EINECS 211-822-6NSC 27454EYE4CFF4RVUNII-EYE4CFF4RVNSC 23790BRN 0636914MONOCYCLOHEXYL UREA

Show more names

cyclohexyl-ureN-CYCLOHEXLUREACyclohexylurea,98%Cyclohexylurea >Urea, N-cyclohexyl-Cyclohexylcarbamide2-ethylbutanoic acid cyclopentyl ester

NSC-23790NSC-27454DTXSID20220102EC 211-822-64-12-00-00052 (Beilstein Handbook Reference)RefChem:129737DTXCID80142593211-822-6

Database identifiers

CAS: 698-90-8
PubChem CID: 69684
DTXSID: DTXSID20220102
UNII: EYE4CFF4RV
EC Number: 211-822-6
Nikkaji: J23.462A

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 119

Experimental & physicochemical properties

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physicochemical properties

Melting point: 194 · 194-196°C
Boiling point: 240.3 · 240.3±13.0 °C(Predicted)
Density: 1.05 · 1.05±0.1 g/cm3(Predicted)
pka: 13.97 · 13.97±0.20(Predicted)
form: powder to crystal
color: White to Almost white
BRN: 636914 · 636914
InChI: InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)
InChIKey: WUESWDIHTKHGQA-UHFFFAOYSA-N
SMILES: N(C1CCCCC1)C(N)=O
CAS DataBase Reference: 698 · 698-90-8(CAS DataBase Reference)
FDA UNII: 4 CFF4RV · EYE4CFF4RV
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Safety Statements: 22 · 22-24/25
RTECS: 7564300 · YS7564300
HS Code: 2924210090 · 2924210090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.