UCSF

ZINC03860850

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) 1.40 2.42 -4.92 0 1 0 17 112.943 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 22 Acros Organics
Melting_Point 22? Alfa-Aesar
Melting_Point 22° Alfa-Aesar
BP [°C] 105 Acros Organics
Boiling_Point 105-106? Alfa-Aesar
Boiling_Point 105-106° Alfa-Aesar
H phrase H331: Toxic if inhaled Acros Organics
H phrase H331: Toxic if inhaled; H311: Toxic in contact with skin; H314: Causes severe skin burns and eye damage; H372: Causes damage to organs through prolonged or repeated exposure; H301: Toxic if swallowed; H400: Very toxic to aquatic life; EUH029: Contact with Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling Acros Organics
P phrase P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P330 + P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P Acros Organics
R phrase R14: Reacts violently with water. Acros Organics
R phrase R14: Reacts violently with water.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R29: Contact with water liberates toxic gas.; R35: Causes severe burns.; R48/23: Toxic : danger of serious damage to health by prolonged exposure th Acros Organics
S phrase S7/8: Keep container tightly closed and dry. Acros Organics
S phrase S7/8: Keep container tightly closed and dry.; S9: Keep container in a well-ventilated place.; 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/ Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; C: Corrosive; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.