Chemical Properties of AMBROXOL

InChI

InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2

InChI Key

JBDGDEWWOUBZPM-UHFFFAOYSA-N

Formula

C13H18Br2N2O

SMILES

Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1

Molecular Weight¹

378.11

Other Names

• Cyclohexanol, 4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-, trans-
• Cyclohexanol, 4-((2-amino-3,5-dibromobenzyl)amino)- (E)-
• trans-4-((2-Amino-3,5-dibromobencil)amino)ciclohexanol
• trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol
• N-(trans-4-Hidroxiciclohexil)-(2-amino-3,5-dibromobencil)amina
• N-(trans-p-Hydroxycyclohexyl)-(2-amino-3,5-dibromobenzyl)amine
• N-(trans-4-Hydroxycyclohexyl)-(2-amino-3,5-dibromobenzyl)-amine
• NA-872
• 4-[(2-Amino-3,5-dibromobenzyl)amino]cyclohexanol, trans-

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.16	kJ/mol	Joback Calculated Property
logPoct/wat	3.187		Crippen Calculated Property
McVol	220.240	ml/mol	McGowan Calculated Property
Inp	[2670.00; 2670.00]
Inp	2670.00		NIST
Inp	2670.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[636.72; 693.35]	J/mol×K	[900.54; 1143.50]
Cp,gas	636.72	J/mol×K	900.54	Joback Calculated Property
Cp,gas	648.46	J/mol×K	941.03	Joback Calculated Property
Cp,gas	659.19	J/mol×K	981.53	Joback Calculated Property
Cp,gas	668.98	J/mol×K	1022.02	Joback Calculated Property
Cp,gas	677.89	J/mol×K	1062.51	Joback Calculated Property
Cp,gas	685.99	J/mol×K	1103.00	Joback Calculated Property
Cp,gas	693.35	J/mol×K	1143.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to AMBROXOL.

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

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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