UCSF

ZINC02034597

Annotations

Vendors

Physical Representations

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) 1.80 4.33 -5.33 0 1 0 17 100.161 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 56? Alfa-Aesar
Melting_Point 56° Alfa-Aesar
Mp [°C] 57 Acros Organics
Boiling_Point 126-127? Alfa-Aesar
Boiling_Point 126-127° Alfa-Aesar
BP [°C] 127 Acros Organics
H phrase H336: May cause drowsiness or dizziness Acros Organics
H phrase H336: May cause drowsiness or dizziness; H372: Causes damage to organs through prolonged or repeated exposure; H361f: Suspected of damaging fertility; H226: Flammable liquid and vapor Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P304 + P340: IF INHA Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R48/23: Toxic : danger of serious damage to health by prolonged exposure through inhalation.; R62: Possible risk of impaired fertility.; R67: Vapours may cause drowsiness and dizziness. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )