| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: Quinoline-2-carbonitrile Quinoline-2-carbonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1436-43-7 , [1436-43-7]
| 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) | 1.77 | 5.19 | -8.35 | 0 | 2 | 0 | 37 | 154.172 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 5.45 | -31.6 | 1 | 2 | 1 | 38 | 155.18 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 160?/23mm | Alfa-Aesar |
| Boiling_Point | 160°/23mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 93 - 95 | Enamine Building Blocks |
| Melting_Point | 93-96? | Alfa-Aesar |
| Melting_Point | 93-96° | Alfa-Aesar |
| MP | 93...95 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
