![1-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-](/cid/55-533-9/1-Propanamine-N-N-dimethyl-3-1-phenylmethyl-1H-indazol-3-yl-oxy.png "1-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-")
- InChI
- InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
- InChI Key
- CNBGNNVCVSKAQZ-UHFFFAOYSA-N
- Formula
- C19H23N3O
- SMILES
-
CN(C)CCCOc1nn(Cc2ccccc2)c2cccc
c12 - Molecular Weight1
- 309.41
- CAS
- 642-72-8
- Other Names
-
- 1H-Indazole, 1-benzyl-3-(3-(dimethylamino)propoxy)-
- Benzindamine
- Benzydamine
- 1-Benzyl-3-(3-(dimethylamino)propoxy)-1H-indazole
- 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 | 0.7724 | Relay (1.0) Calculated Property | |
| ΔfG° | 411.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 141.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.415 | Crippen Calculated Property | |
| McVol | 251.700 | ml/mol | McGowan Calculated Property |
| Pc | 1750.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2350.00; 2414.00] |
|
|
| Inp | 2391.00 | NIST | |
| Inp | 2414.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2350.00 | NIST | |
| Inp | 2390.00 | NIST | |
| Inp | 2368.00 | NIST | |
| Inp | 2368.00 | NIST | |
| Inp | 2391.00 | NIST | |
| Inp | 2368.00 | NIST | |
| Tboil | 691.64 | K | Relay (1.0) Calculated Property |
| Tc | 972.36 | K | Relay (1.0) Calculated Property |
| Tfus | 366.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.946 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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