| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: N-Methylbenzamide N-Methylbenzamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 613-93-4 , 88070-48-8 , [613-93-4]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.13 | 2.77 | -8.92 | 1 | 2 | 0 | 29 | 135.166 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | -1.13 | -6.71 | 1 | 2 | 0 | 33 | 135.166 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | -0.14 | -6.26 | 1 | 2 | 0 | 33 | 135.166 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 100 - 105 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 76 - 78 | Enamine Building Blocks |
| Melting_Point | 76-81? | Alfa-Aesar |
| Melting_Point | 76-81° | Alfa-Aesar |
| MP | 76...78 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| mp | 94 - 97 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 95 | Enamine Building Blocks |
