In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 13 | Yes |
Popular Name: 4'-Isobutylacetophenone 4'-Isobutylacetophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 38861-78-8 , [38861-78-8]
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) | 3.14 | 2.47 | -6.29 | 0 | 1 | 0 | 17 | 176.259 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP | 268 | TCI |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
H phrase | H226: Flammable liquid and vapor; H317: May cause an allergic skin reaction; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing/eye protection/face protection; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin | Acros Organics |
R phrase | R10: Flammable.; R43: May cause sensitisation by skin contact.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
Hazard | XI: Irritant; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.