- InChI
- InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)
- InChI Key
- FWJKNZONDWOGMI-UHFFFAOYSA-N
- Formula
- C9H14N2O3
- SMILES
- CCC1(CC)C(=O)NC(=O)N(C)C1=O
- Molecular Weight1
- 198.22
- CAS
- 50-11-3
- Other Names
-
- 1-Methyl-5,5-diethyl barbituric acid
- 1-Methylbarbital
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-methyl-
- 5,5-Diethyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5,5-Diethyl-1-methyl-2,4,6-trioxo-hexahydropyrimidine
- 5,5-Diethyl-1-methylbarbituric acid
- AN 23
- Barbituric acid, 5,5-diethyl-1-methyl-
- Endiemal
- Endiemalum
- Gemonal
- Gemonil
- Gemonit
- Metabarbital
- Methabarbitone
- Metharbitone
- Metharbutal
- Methylbarbital
- N-Methylbarbital
- NSC 27156
- Sch 412
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-2.23; -2.10] |
|
|
| log10WS | -2.10 | Aq. Sol... | |
| log10WS | -2.23 | Estimat... | |
| logPoct/wat | 0.501 | Crippen Calculated Property | |
| McVol | 151.480 | ml/mol | McGowan Calculated Property |
| Inp | [1412.00; 1472.20] |
|
|
| Inp | 1417.00 | NIST | |
| Inp | 1421.00 | NIST | |
| Inp | 1417.00 | NIST | |
| Inp | 1417.00 | NIST | |
| Inp | Outlier 1472.20 | NIST | |
| Inp | 1412.00 | NIST | |
| Inp | 1425.00 | NIST | |
| Inp | 1420.00 | NIST | |
| Inp | 1417.00 | NIST | |
| Tfus | 423.65 | K | Aq. Sol... |
Similar Compounds
Find more compounds similar to Metharbital.
Sources
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.