- InChI
- InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
- InChI Key
- XXPANQJNYNUNES-UHFFFAOYSA-N
- Formula
- C16H18N2
- SMILES
- CN1Cc2c(N)cccc2C(c2ccccc2)C1
- Molecular Weight1
- 238.33
- CAS
- 24526-64-5
- Other Names
-
- Isoquinoline, 1,2,3,4-tetrahydro-8-amino-2-methyl-4-phenyl-
- 8-Amino-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
- 8-Isoquinolinamine, 1,2,3,4-tetrahydro-2-methyl-4-phenyl-
- Nomifensin
- 8-Amino-1,2,3,4-tetrahydro-2-methyl-4-phenylisoquinoline
- 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-8-isoquinolinamine
- Linamiphen
- Nomiphensine
- Nomifenison
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5626 | Relay (... Calculated Property | |
| ΔfG° | 405.95 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 237.99 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.31 | kJ/mol | Relay (... Calculated Property |
| IE | 7.48 | eV | Relay (... Calculated Property |
| log10WS | -2.58 | Relay (... Calculated Property | |
| logPoct/wat | 2.846 | Crippen Calculated Property | |
| McVol | 197.880 | ml/mol | McGowan Calculated Property |
| Pc | 2488.18 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2108.00; 2124.00] |
|
|
| Inp | 2122.00 | NIST | |
| Inp | 2124.00 | NIST | |
| Inp | 2108.00 | NIST | |
| Tboil | 648.57 | K | Relay (... Calculated Property |
| Tc | 935.14 | K | Relay (... Calculated Property |
| Tfus | 378.78 | K | Relay (... Calculated Property |
| Vc | 0.699 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Nomifensine.
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
- McGowan Method
- NIST Webbook
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