| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 9 | Yes |
Popular Name: 3,4-Dimethylaniline 3,4-Dimethylaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 324761-76-4 , 55389-75-8 , 7356-54-9 , 95-64-7 , [95-64-7]
3,4-dimethylaniline hydrobromide
3,4-dimethylaniline hydrochloride
3-ethyl-4-hydroxy-2-pyrido[1,2-a]pyrimidinone
3-ethyl-4-hydroxy-pyrido[1,2-a]pyrimidin-2-one
4-Methyl-3-(Trifluoromethyl)Aniline [65934-74-9]; (5-Amino-2-methylbenzotrifluoride)
| 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) | 1.84 | 3.59 | -2.88 | 2 | 1 | 0 | 26 | 121.183 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 226 | Acros Organics |
| Boiling_Point | 226-228? | Alfa-Aesar |
| Boiling_Point | 226-228° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 4.48e+00 g/l | DrugBank-experimental |
| MP | 48-51° | Oakwood Chemical |
| Melting_Point | 48-52? | Alfa-Aesar |
| Melting_Point | 48-52° | Alfa-Aesar |
| Mp [°C] | 49 - 51 | Acros Organics |
| MP | 49...51 | Enamine Building Blocks |
| MP | 51 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| Purity | 98% | Fluorochem |
| H phrase | H311: Toxic in contact with skin | Acros Organics |
| H phrase | H311: Toxic in contact with skin; H373: May cause damage to organs through prolonged or repeated exposure; H411: Toxic to aquatic life with long lasting effects; H331: Toxic if inhaled; H301: Toxic if swallowed | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | 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.; R51/53: Toxic 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 |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid rele | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.