| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 10 | Yes |
Popular Name: 4-Methylnicotinic acid 4-Methylnicotinic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3222-50-2 , 94015-05-1 , [3222-50-2] , [94015-05-1]
3-Pyridinecarboxylic acid, 4-methyl-, hydrochloride (1:1)
4-methylnicotinic acid hydrochloride
4-Methylnicotinic acid hydrochloride, 97%
4-MethylnicotinicAcidHydrochloride
4-Methylpyridine-3-carboxylic acid
4-Methylpyridine-3-carboxylic acid hydrochloride
4-Methylpyridine-3-carboxylic acid, 97%
| 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) | 0.65 | 3.85 | -45.53 | 0 | 3 | -1 | 53 | 136.13 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.65 | 4.3 | -45.37 | 1 | 3 | 0 | 54 | 137.138 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 199 - 201 | Enamine Building Blocks |
| MP | 199...201 | Enamine Building Blocks |
| Mp [°C] | 214 - 215 | Acros Organics |
| MP | 217-221° | Oakwood Chemical |
| MP | 218 - 220 | Enamine Building Blocks |
| Mp [°C] | 241 - 244 | Acros Organics |
| mp | 80 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.