| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 9 | Yes |
Popular Name: N-Acetyl-DL-alanine N-Acetyl-DL-alanine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1115-69-1 , 19436-52-3 , 97-69-8 , [1115-69-1]
2-(2,2,3-trimethyl-1-cyclopent-3-enyl)acetaldehyde
2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde
Acetyl-DL-Alanine [1115-69-1]; (Ac-DL-Ala-OH)
| 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) | -2.42 | -0.9 | -44.16 | 1 | 4 | -1 | 69 | 130.123 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 124 - 126 | Enamine Building Blocks |
| MP | 124...126 | Enamine Building Blocks |
| MP | 135 | TCI |
| Melting_Point | 135-139? | Alfa-Aesar |
| Melting_Point | 135-139° | Alfa-Aesar |
| MP | 137-139°C | Indofine |
| ALOGPS_SOLUBILITY | 4.36e+01 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT, KEEP COLD | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
