| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 10 | Yes |
Popular Name: N,N-Dimethyl-p-toluidine N,N-Dimethyl-p-toluidine
"N,N-Dimethyl-p-toluidine, 99%"
Ethyl 4-(N,N-Diethylamino)Benzoate [12087-54-4]
ETHYL 4-(N,N-DIETHYLAMINO)BENZOATE; [10287-54-4]
platinum(2+); 4-(1H-pyrazol-4-ylmethyl)-1H-pyrazole; tetrachloride
| 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) | 2.49 | 5.57 | -2.96 | 0 | 1 | 0 | 3 | 135.21 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 25? | Alfa-Aesar |
| Melting_Point | 25° | Alfa-Aesar |
| Boiling_Point | 210-211? | Alfa-Aesar |
| Boiling_Point | 210-211° | Alfa-Aesar |
| BP [°C] | 211 | Acros Organics |
| MP | 39-43o C | Indofine |
| MP | 39-43°C | Indofine |
| Purity | 98% | Fluorochem |
| Purity | 99% | Fluorochem |
| H phrase | H412: Harmful to aquatic life with long lasting effects | Acros Organics |
| H phrase | H412: Harmful to aquatic life with long lasting effects; H331: Toxic if inhaled; H373: May cause damage to organs through prolonged or repeated exposure; H301: Toxic if swallowed; H311: Toxic in contact with skin | Acros Organics |
| P phrase | P273: Avoid release to the environment; P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P271: Use only outdoors or in a well-ventilated area; P312: Call a POISON CENTER | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R33: Danger of cumulative effects.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| PUBCHEM_PATENT_ID | US3257204 | IBM Patent Data |
| PUBCHEM_PATENT_ID | WO1996040116A1; WO1998007695A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.