| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 5-Methoxyindole 5-Methoxyindole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1006-33-6 , 1006-94-6 , [1006-94-6]
| 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) | 2.19 | 0.19 | -7.03 | 1 | 2 | 0 | 25 | 147.177 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 16 - 18 | Enamine Building Blocks |
| MP | 16...18 | Enamine Building Blocks |
| BP [°C] | 176 - 178 (p=17 torr) | Acros Organics |
| Boiling_Point | 176-178?/17mm | Alfa-Aesar |
| Boiling_Point | 176-178°/17mm | Alfa-Aesar |
| BP | 178 / 17 | TCI |
| Mp [°C] | 52 - 56 | Acros Organics |
| Melting_Point | 52-55? | Alfa-Aesar |
| MP | 52-55° | Matrix Scientific |
| MP | 55 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 98% | APIChem |
| 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, KEEP COLD, LIGHT SENSITIVE | Matrix Scientific |
| Warnings | Irritant/Light Sensitive/Store in Freezer | 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.