| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 9 | Yes |
Popular Name: 2-Aminobenzonitrile 2-Aminobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1885-29-6 , 6944-57-6 , [1885-29-6]
| 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) | 1.13 | 2.75 | -5.24 | 2 | 2 | 0 | 50 | 118.139 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 148-150°/20mm | Matrix Scientific |
| BP | 263 | TCI |
| BP [°C] | 267 - 268 | Acros Organics |
| BP | 268° | Fluorochem |
| Boiling_Point | 286? | Alfa-Aesar |
| Boiling_Point | 286° | Alfa-Aesar |
| M.P | 45-48 °C | Indofine |
| MP | 45-48° | Oakwood Chemical |
| Melting_Point | 45-49? | Alfa-Aesar |
| Melting_Point | 45-49° | Alfa-Aesar |
| Mp [°C] | 46 - 50 | Acros Organics |
| MP | 47-49° | Matrix Scientific |
| MP | 49 - 52 | Enamine Building Blocks |
| MP | 49-52° | Fluorochem |
| MP | 49...52 | Enamine Building Blocks |
| MP | 50 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| 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; H317: May cause an allergic skin reaction | Acros Organics |
| Warnings | IRRITANT, TOXIC | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | 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.; R43: May cause sensitisation by skin contact. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Warnings | Toxic/Irritant | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.