| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2008 | 13 | Yes |
Popular Name: N-phenyldiethanolamine N-phenyldiethanolamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 120-07-0 , [120-07-0]
| 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) | 0.78 | 0.33 | -5.58 | 2 | 3 | 0 | 44 | 181.235 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 270 | Acros Organics |
| Boiling_Point | 270? | Alfa-Aesar |
| Boiling_Point | 270° | Alfa-Aesar |
| Mp [°C] | 55 - 59 | Acros Organics |
| Melting_Point | 55-59? | Alfa-Aesar |
| Melting_Point | 55-59° | Alfa-Aesar |
| MP | 57 | TCI |
| Purity | 97% | APIChem |
| H phrase | H412: Harmful to aquatic life with long lasting effects | Acros Organics |
| H phrase | H412: Harmful to aquatic life with long lasting effects; H373: May cause damage to organs through prolonged or repeated exposure; H318: Causes serious eye damage | Acros Organics |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P26 | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R41: Risk of serious damage to eyes.; R48/20/21/22: Harmful : danger of serious damage to health by prolonged exposure through inhalation, in contact with skin and if swallowed.; R52/53: Harmful to a | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S61: Avoid release to the environment. Refer to special instructions / safet | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.