UCSF

ZINC00901192

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Vendors

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 3.55 -4.95 0 1 0 17 86.134 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 78 Acros Organics
Melting_Point 78? Alfa-Aesar
Melting_Point 78° Alfa-Aesar
BP [°C] 100 - 103 Acros Organics
Boiling_Point 100-101? Alfa-Aesar
Boiling_Point 100-101° Alfa-Aesar
BP 101 TCI
Patent Database Links EP0775703; EP1077214; EP1229031; EP1253147; EP1505072; EP1712541; EP1772455; US2002058713; US2002099099; US2003176507; US2003229142; US2004019119; US2004044085; US2005159594; US2006035950; US2008233621; WO2005009986; WO2005014569; WO2005019199; WO20050876 ChEBI
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XN: Harmful Acros Organics
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; H225: Highly flammable liquid and vapor Acros Organics
UniProt Database Links OPH_PSESP; OPH_SPHS1 ChEBI
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics

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