| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 10 | Yes |
Popular Name: 6-Methylindole 6-Methylindole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 02/08/3420 , 08/02/20 , 2/8/3420 12:00:00 AM , 3420-02-8 , 3420/2/8 , 4315-07-5 , [3420-02-8]
| 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) | 2.58 | 0.5 | -5.11 | 1 | 1 | 0 | 15 | 131.178 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 112 (p=5 torr) | Acros Organics |
| Boiling_Point | 112?/5mm | Alfa-Aesar |
| BP | 112°/5mm | Matrix Scientific |
| MP | 203 - 205 | Enamine Building Blocks |
| MP | 203...205 | Enamine Building Blocks |
| Melting_Point | 29-32? | Alfa-Aesar |
| MP | 29-32° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0993458A1; WO1998057953A1; WO1999003855A1 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT, LIGHT SENSITIVE, KEEP COLD | 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 |
| Purity | tech | Matrix Scientific |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.