Cyclohexylurea - CAS 698-90-8

Catalog:	BB054000
Product Name:	Cyclohexylurea
CAS:	698-90-8
Synonyms:	1-Cyclohexylurea; N-Cyclohexylurea; Urea, cyclohexyl-; NSC 27454; NSC 23790; monocyclohexylurea

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	cyclohexylurea
Molecular Weight:	142.20
Molecular Formula:	C7H14N2O
Canonical SMILES:	C1CCC(CC1)NC(=O)N
InChI:	InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)
InChI Key:	WUESWDIHTKHGQA-UHFFFAOYSA-N
Boiling Point:	240.3±13.0°C at 760 mmHg
Melting Point:	194-196°C
Purity:	≥95%
Density:	1.05±0.1 g/cm3 (Predicted)
Appearance:	White to Almost White Powder to Crystal

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Related Functional Groups

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Cyclohexane

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Cyclohexyl chloroformate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.110613074
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	142.110613074
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5