| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 27 | No |
Popular Name: (Di-n-dodecyl)dimethylammonium bromide, 99% (Di-n-dodecyl)dimethylammonium b…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3282-73-3 , 3401-74-9 , [3282-73-3] , [3401-74-9]
(Di-n-dodecyl)dimethylammonium bromide
(Di-n-dodecyl)dimethylammonium bromide, 98+%
Didodecyldimethylammonium bromide
Didodecyldimethylammonium bromide, 99%
Didodecyldimethylammonium 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) | 7.32 | 21.3 | -30.07 | 0 | 1 | 1 | 0 | 382.741 | 22 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 157-162? | Alfa-Aesar |
| Melting_Point | 157-162° | Alfa-Aesar |
| Mp [°C] | 161 - 164 | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | 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; 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 protective gloves/protective clothing/eye | 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. | 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. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 700 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 700 | 0.32 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.