UCSF

ZINC01577148

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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) 4.50 9.34 -3.59 0 0 0 0 180.25 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 122 - 126 Acros Organics
Melting_Point 122-125? Alfa-Aesar
Melting_Point 122-125° Alfa-Aesar
MP 123 TCI
MP 123-125 °C(lit.) Indofine
mp 126 MolMall (formerly Molecular Diversity Preservation International)
BP [°C] 305 - 307 (p=744 torr) Acros Organics
Boiling_Point 305-307? Alfa-Aesar
Boiling_Point 305-307° Alfa-Aesar
BP 307 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
UniProt Database Links CP119_SULAC; DPS1_PINST; DPS2_PINST; DPSS_PINSY; GSTF2_ARATH; HYEP1_CTEFE; HYEP2_CTEFE; HYEP_BOMMO; HYEP_HUMAN; HYEP_MANSE; HYEP_MOUSE; HYEP_PIG; HYEP_RABIT; HYEP_RAT; LSDX1_SPHPI; LSDX3_SPHPI; MOT1_RAT; S4A4_BOVIN; S4A4_HUMAN; S4A4_MOUSE; S4A4_PIG; S4A4_ ChEBI
Patent Database Links EP0862353; EP1063264; EP1623970; EP1715019; EP1801087; US2002032218; US2004054186; US2004067971; US2004073026; US2004143023; US2007248658; US2007254889; US2007269488; US2008261982; US2008268097; WO2005034960; WO2005092878; WO2006091575; WO2007102149; WO20 ChEBI
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects; H319: Causes serious eye irritation; H302: Harmful if swallowed Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
P phrase P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiousl Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36: Irritating to eyes.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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.; S39: Wear eye/face protection.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
Patent Database Links US2007249647; WO2006108864 ChEBI
PUBCHEM_PATENT_ID US4212518; US5294376; US5336448; WO1997046557A1 IBM Patent Data
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

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