In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2008 | 8 | No |
Popular Name: 4-Methyl-1H-imidazole-2-carbaldehyde 4-Methyl-1H-imidazole-2-carbalde…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 113825-16-4 , 116825-16-4
1H-imidazole-2-carboxaldehyde, 4-methyl-
1H-Imidazole-2-carboxaldehyde, 4-methyl- (9CI)
1H-Imidazole-2-carboxaldehyde, 5-methyl-
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) | 0.04 | 1.56 | -14.11 | 1 | 3 | 0 | 46 | 110.116 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.04 | 1.97 | -33.5 | 2 | 3 | 1 | 47 | 111.124 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.