UCSF

ZINC00038545

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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) 3.83 6.73 -9.78 1 3 0 47 214.22 3
Hi High (pH 8-9.5) 3.83 7.72 -52.79 0 3 -1 49 213.212 3

Vendor Notes

Note Type Comments Provided By
BP [°C] 172 - 173 (p=12 torr) Acros Organics
Boiling_Point 172-174?/12mm Alfa-Aesar
Boiling_Point 172-174°/12mm Alfa-Aesar
BP 173 / 12 TCI
Mp [°C] 40 - 44 Acros Organics
Melting_Point 41-45? Alfa-Aesar
Melting_Point 41-45° Alfa-Aesar
MP 44 TCI
MP 44 - 46 Enamine Building Blocks
MP 44...46 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% APIChem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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