UCSF

ZINC01510099

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) 2.88 2.7 -5.44 0 1 0 24 153.184 0

Vendor Notes

Note Type Comments Provided By
BP 156 / 12 TCI
Boiling_Point 156-158?/12mm Alfa-Aesar
Boiling_Point 156-158°/12mm Alfa-Aesar
Mp [°C] 63 - 68 Acros Organics
Melting_Point 63-67? Alfa-Aesar
Melting_Point 63-67° Alfa-Aesar
MP 67 TCI
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H301: Toxic if swallowed; H332: Harmful if inhaled; H315: Causes skin irritation; H318: Causes serious eye damage; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R41: Risk of serious damage to eyes.; R37/38: Irritating to respiratory system and skin. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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