| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 10 | Yes |
Popular Name: 3-aminoisonicotinic acid 3-aminoisonicotinic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 7529-20-6 , 7579-20-6 , 882029-13-2 , [7529-20-6] , [7579-20-6]
"3-Aminoisonicotinic acid, 97%"
3-amino-4-pyridine carboxylic acid
3-Amino-4-pyridinecarboxylic acid
3-Aminopyridine-4-carboxylic acid
3-Aminopyridine-4-carboxylic acid, 95%
3-Aminopyridine-4-carboxylic acid
3-Aminopyridine-4-carboxylic acid
| 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) | 0.37 | 1.38 | -41.94 | 2 | 4 | -1 | 79 | 137.118 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.37 | 1.86 | -45.91 | 3 | 4 | 0 | 80 | 138.126 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 287 - 291 | Acros Organics |
| MP | 300 - 302 | Enamine Building Blocks |
| MP | 300° | Matrix Scientific |
| MP | 303 | TCI |
| MP | 305 - 310 | Enamine Building Blocks |
| MP | 305-310° | Oakwood Chemical |
| MP | 305...310 | Enamine Building Blocks |
| melting_point | 314 - 316 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 280? dec. | Alfa-Aesar |
| Melting_Point | ca 280° dec. | Alfa-Aesar |
| 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 | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.