| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 19 | No |
Popular Name: Stearylamine Stearylamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 124-30-1 , 1838-08-0 , [2190-04-7]
1-Octadecanamine, hydrochloride; AI3-15078; EINECS 217-410-2; LS-97775; Octadecylamine hydrochloride
| 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) | 7.63 | 12 | -39.39 | 3 | 1 | 1 | 28 | 270.525 | 16 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 160? | Alfa-Aesar |
| Melting_Point | 160° | Alfa-Aesar |
| Boiling_Point | 180-183?/5mm | Alfa-Aesar |
| Boiling_Point | 180-183°/5mm | Alfa-Aesar |
| BP [°C] | 232 (p=32 torr) | Acros Organics |
| Mp [°C] | 50 - 60 | Acros Organics |
| Melting_Point | 53-55? | Alfa-Aesar |
| Melting_Point | 53-55° | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0735129A2; EP0735129A3; EP0735129B1; EP0816445A1; EP0816447A1; EP0816448A1; EP0816449A1; US5500140; US5573696; WO1997008240A1 | IBM Patent Data |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H315: Causes skin irritation; H373: May cause damage to organs through prolonged or repeated exposure if swallowed; H410: Very toxic to aquatic life with long lasting effects; H304: May be fatal if swallowed and enters air | 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; P30 | Acros Organics |
| R phrase | R38: Irritating to skin. | Acros Organics |
| R phrase | R38: Irritating to skin.; R41: Risk of serious damage to eyes.; R48/22: Harmful : danger of serious damage to health by prolonged exposure if swallowed.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environme | Acros Organics |
| PUBCHEM_PATENT_ID | US5384157 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5783658; US5827918 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.