UCSF

ZINC00153257

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 2.24 -6.53 0 1 0 13 181.544 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 28-29? Alfa-Aesar
MP 28-29° Matrix Scientific
mp 33 - 35 MolMall (formerly Molecular Diversity Preservation International)
M.P 33-34C Indofine
Boiling_Point 60-62?/8mm Alfa-Aesar
BP 60-62°/8mm Matrix Scientific
BP 78 / 23 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H315: Causes skin irritation; H332: Harmful if inhaled; H319: Causes serious eye irritation Acros Organics
melting_point LMS KeyOrganics
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P312: Call Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Warnings TOXIC Matrix Scientific
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.