| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 8 | No |
Popular Name: Diaminomaleonitrile Diaminomaleonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1187-42-4 , 18514-52-8 , [1187-42-4]
| 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) | -0.56 | -1.21 | -4.77 | 4 | 4 | 0 | 100 | 108.104 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 178 - 179 | Acros Organics |
| MP | 178-179° | Fluorochem |
| Melting_Point | 178-182? dec. | Alfa-Aesar |
| Melting_Point | 178-182° dec. | Alfa-Aesar |
| MP | 178...179 | Enamine Building Blocks |
| MP | 180 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H332: Harmful if inhaled; H312: Harmful in contact with skin; EUH032: Contact with acids liberates very toxic gas | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin.; R25: Toxic if swallowed.; R32: Contact with acids liberates very toxic gas. | Acros Organics |
| R phrase | R25: Toxic if swallowed. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.