Chemical Properties of Benzamide, N-butyl-2-(methylamino)- (CAS 53693-72-4)

InChI

InChI=1S/C12H18N2O/c1-3-4-9-14-12(15)10-7-5-6-8-11(10)13-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)

InChI Key

ZPUCFROBIBAQQV-UHFFFAOYSA-N

Formula

C12H18N2O

SMILES

CCCCN=C(O)c1ccccc1NC

Molecular Weight¹

206.28

CAS

53693-72-4

Other Names

• N-Butyl-2-(methylamino)benzamide

• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	177.710	ml/mol	McGowan Calculated Property
Inp	[1830.10; 1830.10]
Inp	1830.10		NIST
Inp	1830.10		NIST
Tboil	598.86	K	Relay (1.0) Calculated Property
Tfus	380.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Similar Compounds

Find more compounds similar to Benzamide, N-butyl-2-(methylamino)-.

Sources

• Cheméo Relay (1.0)
• 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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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