UCSF

ZINC00388150

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) 2.68 1.88 -5.62 2 2 0 40 166.22 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 284-286? Alfa-Aesar
Boiling_Point 284-286° Alfa-Aesar
BP [°C] 285 Acros Organics
BP 285° Oakwood Chemical
MP 51 - 53 Enamine Building Blocks
MP 51...53 Enamine Building Blocks
MP 52-55° Oakwood Chemical
Mp [°C] 53 - 56 Acros Organics
Melting_Point 53-57? Alfa-Aesar
Melting_Point 53-57° Alfa-Aesar
MP 58 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem
Hazard C: Corrosive Acros Organics
Hazard C: Corrosive; N: Dangerous for the environment Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; H317: May cause an allergic skin reaction; H410: Very toxic to aquatic life with long lasting effects Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P330 + P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns.; R43: May cause sensitisation by skin contact.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
R phrase R21: Harmful in contact with skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics

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