| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 13 | No |
Popular Name: 5-acetyl-2-hydroxy-6-methylnicotinonitrile 5-acetyl-2-hydroxy-6-methylnicot…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 52600-53-0 , [52600-53-0]
5-Acetyl-2-oxo-6-methyl-1,2-dihydropyridine-3-carbonitrile
5-ACETYL-6-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
| 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 | 1.92 | -16.74 | 0 | 4 | 0 | 70 | 176.175 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 1.53 | -37.44 | 0 | 4 | -1 | 77 | 175.167 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.34 | 2.89 | -13.66 | 1 | 4 | 0 | 74 | 176.175 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 230 - 232 | Acros Organics |
| MP | 233-235° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
