UCSF

ZINC00967353

Annotations

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) 2.65 0.34 -6.39 0 4 0 59 192.989 1

Vendor Notes

Note Type Comments Provided By
MP 55-60° Oakwood Chemical
MP 57-59° Matrix Scientific
MP 58 - 60 Enamine Building Blocks
Mp [°C] 58 - 68 Acros Organics
MP 58...60 Enamine Building Blocks
MP 59 - 60 Enamine Building Blocks
MP 60 - 60 Enamine Building Blocks
MP 60 - 62 Enamine Building Blocks
Melting_Point 62-65? Alfa-Aesar
Melting_Point 62-65° Alfa-Aesar
MP 65 TCI
MP 65º Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Matrix Scientific
Purity 97% Matrix Scientific
H phrase H317: May cause an allergic skin reaction Acros Organics
H phrase H317: May cause an allergic skin reaction; H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position com Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
Hazard XI: Irritant 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.