| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 16 | No |
Popular Name: Lauryltrimethylammonium bromide Lauryltrimethylammonium bromide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1119-94-4 , 112-00-5 , [1119-94-4] , [112-00-5]
(1-Dodecyl)trimethylammonium bromide
(1-Dodecyl)trimethylammonium bromide, 99%
(1-Dodecyl)trimethylammonium chloride
(1-Dodecyl)trimethylammonium chloride, 97%
C20389; Dodecyltrimethylammonium bromide; LTAB; Lauryltrimethylaminium bromide
Dodecyltrimethylammonium bromide
Dodecyltrimethylammonium bromide, 99%, pure
Dodecyltrimethylammonium chloride, 98%
Dodecyltrimethylammonium choride
Dodecyltrimethylammonium choride, 99%+
Lauryl trimethylammonium chloride
| 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 | 4.92 | -28.96 | 0 | 1 | 1 | 0 | 228.444 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.17e-05 g/l | DrugBank-experimental |
| Mp [°C] | 237 | Acros Organics |
| Mp [°C] | 246 | Acros Organics |
| Melting_Point | ca 237? dec. | Alfa-Aesar |
| Melting_Point | ca 237° dec. | Alfa-Aesar |
| Melting_Point | ca 245? dec. | Alfa-Aesar |
| Melting_Point | ca 245° dec. | Alfa-Aesar |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H410: Very toxic to aquatic life with long lasting effects; H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation; H400: Very toxic to aquatic life | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear pr | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R50: Very toxic to aquatic organisms. | 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.; S29: Do not empty into drains.; S37/39: Wear suitable gloves and eye/face protection.; S61: Avoid release to the environment. Refer to special instructions | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 500 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 500 | 0.55 | Functional ≤ 10μM |
