| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 10 | Yes |
Popular Name: 4-isopropylaniline 4-isopropylaniline
1,3-dihydrobenzimidazole-2-thione
4-(1-methylethyl)aniline; 4-Amino-1-isopropylbenzene; 4-Aminocumene; Cumidine; p-Cumidine
| 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) | 2.53 | -0.05 | -2.31 | 2 | 1 | 0 | 26 | 135.21 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 63 | Acros Organics |
| Melting_Point | 63? | Alfa-Aesar |
| Melting_Point | 63° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 1.74e+00 g/l | DrugBank-experimental |
| BP | 224 | TCI |
| BP [°C] | 226 - 228 | Acros Organics |
| BP | 226-227°/745mm | Oakwood Chemical |
| Boiling_Point | 226-228? | Alfa-Aesar |
| Boiling_Point | 226-228° | Alfa-Aesar |
| Purity | 99% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
| 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 |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.