| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2005 | 8 | Yes |
Popular Name: 1H-imidazole-2-carboxylic acid 1H-imidazole-2-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16042-25-4 , 16042-25-4; . , [16042-25-4]
| 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) | -0.40 | 0.85 | -51.91 | 1 | 4 | -1 | 69 | 111.08 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 1.32 | -34.66 | 2 | 4 | 0 | 70 | 112.088 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 163-164° | Oakwood Chemical |
| Mp [°C] | 198 | Acros Organics |
| Purity | 97% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H335: May cause respiratory 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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 | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.