Chemical Properties of Noruron (CAS 18530-56-8)

InChI

InChI=1S/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)/t8-,9-,10-,11+,12-/m1/s1

InChI Key

YGLMVCVJLXREAK-PZWNZHSQSA-N

Formula

C13H21N2O

SMILES

CN(C)C(=O)NC1CC2CC1C1CCCC21

Molecular Weight¹

221.32

CAS

18530-56-8

Other Names

• (3a«alpha»,4«alpha»,5«alpha»,7«alpha»,7a«alpha»)-1,1-dimethyl-3-(octahydro-4,7-methano-1H-inden-5-yl)urea
• 1-(3a,4,5,6,7,7a-Hexahydro-4,7-methano-5-indanyl)-3,3-dimethylurea
• 1-(5-(3a,4,5,6,7,7a-Hexahydro-4,7-methanoindanyl))-3,3-dimethylurea
• 1-(Tetrahydrodicyclopentadienyl)-3,3-dimethylurea
• 3-(5-(3a,4,5,6,7,7a-Hexahydro-4,6-methanoindanyl))-1,1-dimethylurea
• 3-(Hexahydro-4,7-methanoindan-5-yl)-1,1-dimethylurea
• Asepta Herban
• Herban
• Hercules 7531
• N,N-dimethyl-N'-(octahydro-4,7-methano-1H-inden-5-yl)urea
• Narea
• Norea
• Nores
• Urea, 3-(hexahydro-4,7-methanoindan-5-yl)-1,1-dimethyl-, endo,exo-5-
• Urea, N,N-dimethyl-N'-(octahydro-4,7-methano-1H-inden-5-yl)-, (3a«alpha»,4«alpha»,5«alpha»,7«alpha»,7a«alpha»)-
• Urea, N,N-dimethyl-N'-[(3aR,4S,5R,7S,7aR)-octahydro-4,7-methano-1H-inden-5-yl]-, rel-
• isonoruron

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.59	kJ/mol	Joback Calculated Property
log10WS	[-3.17; -3.01]
log10WS	-3.01		Aq. Solubility Prediction
log10WS	-3.17		Estimated Solubility
logPoct/wat	2.082		Crippen Calculated Property
McVol	182.980	ml/mol	McGowan Calculated Property
Inp	[1941.00; 1960.00]
Inp	1941.00		NIST
Inp	1960.00		NIST
Inp	1941.00		NIST
Tfus	441.87 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.33; 650.37]	J/mol×K	[628.67; 838.48]
Cp,gas	547.33	J/mol×K	628.67	Joback Calculated Property
Cp,gas	567.50	J/mol×K	663.64	Joback Calculated Property
Cp,gas	586.33	J/mol×K	698.61	Joback Calculated Property
Cp,gas	603.94	J/mol×K	733.57	Joback Calculated Property
Cp,gas	620.41	J/mol×K	768.54	Joback Calculated Property
Cp,gas	635.85	J/mol×K	803.51	Joback Calculated Property
Cp,gas	650.37	J/mol×K	838.48	Joback Calculated Property
ΔfusH	21.74	kJ/mol	436.50	NIST

Similar Compounds

Find more compounds similar to Noruron.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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