- InChI
- InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)
- InChI Key
- RMFNNCGOSPBBAD-UHFFFAOYSA-N
- Formula
- C11H15N3O2
- SMILES
- CNC(=O)Oc1cccc(N=CN(C)C)c1
- Molecular Weight1
- 221.26
- CAS
- 22259-30-9
- Other Names
-
- 3-([(Dimethylamino)methylidene]amino)phenyl methylcarbamate
- 3-[(Dimethylamino)methylenimino]phenyl N-methylcarbamate
- Carbamic acid, methyl-, ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine
- Carbamic acid, methyl-, m-(((dimethylamino)methylene)amino)phenyl ester
- Dicarzol
- Formetanat
- Methanimidamide, N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]-
- Methylcarbamic acid ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine
- Phenol, m-[[(dimethylamino)methylene]amino]-, methylcarbamate (ester)
- m-[[(Dimethylamino)methylene]amino]phenyl methylcarbamate
- 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 | 0.7139 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -213.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.30 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.34; -2.34] |
|
|
| log10WS | -2.34 | Aq. Solubility Prediction | |
| log10WS | -2.34 | Estimated Solubility | |
| logPoct/wat | 1.626 | Crippen Calculated Property | |
| McVol | 175.170 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | [2117.00; 2117.00] |
|
|
| Inp | 2117.00 | NIST | |
| Inp | 2117.00 | NIST | |
| Tboil | 589.38 | K | Relay (1.0) Calculated Property |
| Tc | 834.13 | K | Relay (1.0) Calculated Property |
| Tfus | 383.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Formetanate.
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
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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