UCSF

ZINC08585885

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) 2.10 3.91 -3.84 0 0 0 0 133.405 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 37 Acros Organics
BP [°C] 110 - 115 Acros Organics
Patent Database Links EP1000944; EP1283204; US2007032550 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H332: Harmful if inhaled; H351: Suspected of causing cancer; H312: Harmful in contact with skin; EUH066: Repeated exposure may cause skin dryness or cracking 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.; R40: Limited evidence of a carcinogenic effect.; R66: Repeated exposure may cause skin dryness or cracking. Acros Organics
S phrase S9: Keep container in a well-ventilated place. Acros Organics
S phrase S9: Keep container in a well-ventilated place.; S36/37: Wear suitable protective clothing and gloves.; S46: If swallowed, seek medical advice immediately and show this container or label. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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