| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 11 | Yes |
Popular Name: 4-Cyanoindole 4-Cyanoindole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16136-52-0 , [16136-52-0]
| 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) | 1.87 | 4.92 | -8.67 | 1 | 2 | 0 | 40 | 142.161 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 5.2 | -42.64 | 1 | 2 | 1 | 38 | 143.169 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 117-121° | Oakwood Chemical |
| MP | 120 | TCI |
| Mp [°C] | 120 - 121 | Acros Organics |
| MP | 120-121° | Matrix Scientific |
| Melting_Point | 120-125? | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H317: May cause an allergic skin reaction; H335: May cause respiratory irritation; H318: Causes serious eye damage | Acros Organics |
| Warnings | Irritant/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; 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 |
