- InChI
- InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3
- InChI Key
- OJGDCBLYJGHCIH-UHFFFAOYSA-N
- Formula
- C14H20Br2N2
- SMILES
- CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1
- Molecular Weight1
- 376.13
- CAS
- 3572-43-8
- Other Names
-
- Toluene-«alpha»,2-diamine, 3,5-dibromo-N«alpha»-cyclohexyl-N«alpha»-methyl-
- Bromexine
- Bromhexine
- Na 274
- 2-Amino-3,5-dibromo-N-cyclohexyl-N-methyl benzenemethanamine
- 2-Amino-3,5-dibromo-N-cyclohexyl-N-methylbenzenemathanamine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6095 | Relay (1.0) Calculated Property | |
| ΔfG° | 380.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.558 | Crippen Calculated Property | |
| McVol | 228.460 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Inp | [2330.00; 2385.00] |
|
|
| Inp | 2370.00 | NIST | |
| Inp | 2370.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Inp | 2337.00 | NIST | |
| Inp | 2330.00 | NIST | |
| Inp | 2340.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Inp | 2370.00 | NIST | |
| Tboil | 666.38 | K | Relay (1.0) Calculated Property |
| Tc | 904.37 | K | Relay (1.0) Calculated Property |
| Tfus | 371.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.765 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.07; 704.97] | J/mol×K | [798.18; 1055.32] |
|
| Cp,gas | 626.07 | J/mol×K | 798.18 | Joback Calculated Property |
| Cp,gas | 642.17 | J/mol×K | 841.04 | Joback Calculated Property |
| Cp,gas | 656.95 | J/mol×K | 883.89 | Joback Calculated Property |
| Cp,gas | 670.50 | J/mol×K | 926.75 | Joback Calculated Property |
| Cp,gas | 682.95 | J/mol×K | 969.61 | Joback Calculated Property |
| Cp,gas | 694.40 | J/mol×K | 1012.46 | Joback Calculated Property |
| Cp,gas | 704.97 | J/mol×K | 1055.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanamine, 2-amino-3,5-dibromo-N-cyclohexyl-N-methyl-.
Sources
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