| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 10 | Yes |
Popular Name: 2-Pyridylacetic acid hydrochloride 2-Pyridylacetic acid hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13115-43-0 , 16179-97-8 , 6419-36-9 , 67870-16-0 , [13115-43-0] , [16179-97-8] , [6419-36-9] , [67870-16-0]
2-(Pyridin-2-yl)acetic acid hydrochloride
2-Pyridineacetic acid hydrochloride
2-Pyridineacetic acid hydrochloride, 99%
2-Pyridylacetic acid hydrochloide
2-Pyridylacetic acid hydrochloride, 99%
2-Pyridylaceticacidhydrochloride
3-Pyridylacetic acid hydrochloride
pyridin-2-ylacetic acid hydrochloride
PYRIDYLACETICACIDHYDROCHLORIDE 2-
| 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) | 0.19 | 3.28 | -52.46 | 0 | 3 | -1 | 53 | 136.13 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.19 | 3.55 | -40.25 | 1 | 3 | 0 | 54 | 137.138 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 129 - 131 | Enamine Building Blocks |
| MP | 129...131 | Enamine Building Blocks |
| MP | 130 | TCI |
| MP | 130° | Matrix Scientific |
| Mp [°C] | 135 | Acros Organics |
| MP | 135°(dec.) | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 99% | APIChem |
| Melting_Point | ca 130? dec. | Alfa-Aesar |
| Melting_Point | ca 130° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0238061A2; US4880797; US4988687 | IBM Patent Data |
| 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.