| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 3,5-Dimethoxyaniline 3,5-Dimethoxyaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10272-07--8 , 10272-07-8 , [10272-07-8]
| 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) | 1.06 | 0.96 | -6.25 | 2 | 3 | 0 | 44 | 153.181 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 178 / 20 | TCI |
| Boiling_Point | 178?/20mm | Alfa-Aesar |
| Boiling_Point | 178°/20mm | Alfa-Aesar |
| Mp [°C] | 53 - 55 | Acros Organics |
| Melting_Point | 53-57? | Alfa-Aesar |
| Melting_Point | 53-57° | Alfa-Aesar |
| MP | 54 - 57 | Enamine Building Blocks |
| MP | 54-57° | Oakwood Chemical |
| MP | 54...57 | Enamine Building Blocks |
| MP | 57 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Purity | 99% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled; H335: May cause respiratory irritation; H312: Harmful in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | 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; 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 |
| Warnings | Toxic | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.