| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: 4,5-Dimethylbenzene-1,2-diamine 4,5-Dimethylbenzene-1,2-diamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3171-45-7 , N/A , [3171-45-7]
"4,5-Dimethyl-1,2-phenylenediamine, 95%"
"4,5-Dimethylbenzene-1,2-diamine dihydrochloride, 97%"
1,2-benzenediamine, 4,5-dimethyl-
2-amino-4,5-dimethylphenylamine
4,5-dimethyl-1,2-phenylenediamine
4,5-Dimethyl-o-phenylenediamine monohydrate
4,5-Dimethyl-o-phenylenediamine monohydrate, 98%
4,5-Dimethyl-o-phenylenediamine, 98%
4,5-Dimethylbenzene-1,2-diamine 98+%
| 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) | 1.66 | 1.71 | -3.54 | 4 | 2 | 0 | 52 | 136.198 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.31e+01 g/l | DrugBank-experimental |
| MP | 127 | TCI |
| MP | 127 - 129 | Enamine Building Blocks |
| Melting_Point | 127-129? | Alfa-Aesar |
| Melting_Point | 127-129° | Alfa-Aesar |
| MP | 127...129 | Enamine Building Blocks |
| Mp [°C] | 127.2 - 128.3 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | 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; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | 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. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
