UCSF

ZINC01679161

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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) 2.90 5.84 -4.09 0 0 0 0 134.203 0

Vendor Notes

Note Type Comments Provided By
BP 221 TCI
BP [°C] 221 - 222 Acros Organics
Boiling Point 221-222 SynQuest Building Blocks
Boiling_Point 221-222? Alfa-Aesar
Boiling_Point 221-222° Alfa-Aesar
Mp [°C] 28 - 32 Acros Organics
Melting_Point 28-32? Alfa-Aesar
Melting_Point 28-32° Alfa-Aesar
Melting Point 28-33 SynQuest Building Blocks
MP 31 - 33 Enamine Building Blocks
MP 32 - 33 Enamine Building Blocks
MP 33 - 33 Enamine Building Blocks
MP 33 - 35 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 97% Matrix Scientific
Patent Database Links EP0805190; EP0918056; EP0921124; EP0950405; EP0984012; EP0985662; EP1072576; EP1193254; EP1298130; EP1314733; EP1362854; EP1408090; EP1437346; EP1479676; EP1512704; EP1555264; EP1598067; EP1632483; EP1724272; EP1777214; EP1947096; EP1992621; GB2224028; US ChEBI
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

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