UCSF

ZINC02034884

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) 0.26 0.65 -27.28 2 2 1 26 85.13 0

Vendor Notes

Note Type Comments Provided By
MP 104 TCI
Mp [°C] 104 - 107 Acros Organics
BP [°C] 110 (p=2 torr) Acros Organics
BP 130 / 50 TCI
Boiling_Point 197? Alfa-Aesar
Boiling_Point 197° Alfa-Aesar
Melting_Point 96-102? Alfa-Aesar
Melting_Point 98-102? Alfa-Aesar
Melting_Point 98-102° Alfa-Aesar
PUBCHEM_PATENT_ID EP0164944A1; EP0182633A2; EP0196005A1; EP0225182A2; EP0225182B1; EP0300664A2; EP0300665A2; EP0300665B1; EP0304155A2; EP0304155B1; EP0562832A1; US4661602; US4732989; US4868173; US5008258; US5013730; US5013731; US5049558; US5053500; US5254679 IBM Patent Data
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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% )

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