- InChI
- InChI=1S/C15H15BrN2/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12/h2-9,11,17H,10H2,1H3/b15-8-
- InChI Key
- AZFZKANGXPSDEA-NVNXTCNLSA-N
- Formula
- C15H15BrN2
- SMILES
- CNCC=C(c1ccc(Br)cc1)c1cccnc1
- Molecular Weight1
- 303.20
- CAS
- 60324-59-6
- Other Names
-
- (Z)-3-[1-(p-Bromophenyl)-3-(methylamino)propenyl]pyridine
- (Z)-3-(Bromophenyl)-N-methyl-3-(3-pyridyl)-allylamine
- 2-Propen-1-amine, 3-(4-bromophenyl)-N-methyl-3-(3-pyridinyl)-, (Z)-
- Norzimelidine
- (Z)-Norzimelidine
- Norzimeldine
- 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 | 0.5567 | Relay (1.0) Calculated Property | |
| ΔfG° | 380.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 314.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.495 | Crippen Calculated Property | |
| McVol | 207.850 | ml/mol | McGowan Calculated Property |
| Pc | 2437.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2223.00; 2223.00] |
|
|
| Inp | 2223.00 | NIST | |
| Inp | 2223.00 | NIST | |
| Inp | 2223.00 | NIST | |
| Tboil | 664.81 | K | Relay (1.0) Calculated Property |
| Tc | 918.45 | K | Relay (1.0) Calculated Property |
| Tfus | 376.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.701 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nomelidine.
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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