| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 9 | Yes |
Popular Name: 1-methyl-1H-pyrrole-2-carboxylic acid 1-methyl-1H-pyrrole-2-carboxylic…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6973-60-0 , [6973-60-0]
"1-Methyl-1H-pyrrole-2-carboxylic acid, 97%"
1-Methyl-2-pyrrolecarboxylic acid
1-Methylpyrrole-2-carboxylic acid
1-Methylpyrrole-2-carboxylic acid, 98%
1H-pyrrole-2-carboxylic acid, 1-methyl-
N-Methylpyrrole-2-carboxylic acid
N-Methylpyrrole-2-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) | 0.73 | 3.63 | -49.98 | 0 | 3 | -1 | 45 | 124.119 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 127 - 129 | Enamine Building Blocks |
| MP | 127...129 | Enamine Building Blocks |
| Mp [°C] | 131 - 138 | Acros Organics |
| Melting_Point | 135-138? | Alfa-Aesar |
| Melting_Point | 135-138° | Alfa-Aesar |
| melting_point | 136 - 138 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Purity | 99% | Matrix Scientific |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin 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.