UCSF

ZINC01846500

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) 1.30 4.61 -7.08 0 2 0 26 156.188 1
Lo Low (pH 4.5-6) 1.30 5.06 -34.97 1 2 1 27 157.196 1

Vendor Notes

Note Type Comments Provided By
BP 110 / 0.8 TCI
BP [°C] 280 - 282 Acros Organics
Boiling_Point 281? Alfa-Aesar
Boiling_Point 281° Alfa-Aesar
Mp [°C] 58 - 62 Acros Organics
Melting_Point 59-63? Alfa-Aesar
Melting_Point 59-63° Alfa-Aesar
MP 64 TCI
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0939757A1; WO1997023480A1 IBM Patent Data
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin 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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p 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.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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