UCSF

ZINC03860834

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) 1.99 3.79 -6.32 2 4 0 72 172.571 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 114-118? Alfa-Aesar
Melting_Point 114-118° Alfa-Aesar
Mp [°C] 115 - 119 Acros Organics
MP 117 - 119 Enamine Building Blocks
MP 117-119° Oakwood Chemical
MP 117...119 Enamine Building Blocks
MP 118 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H310: Fatal in contact with skin Acros Organics
H phrase H310: Fatal in contact with skin; H411: Toxic to aquatic life with long lasting effects; H373: May cause damage to organs through prolonged or repeated exposure; H300: Fatal if swallowed; H330: Fatal if inhaled Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P304 + P340: IF INHALED: Acros Organics
R phrase R26/27/28: Very toxic by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R26/27/28: Very toxic by inhalation, in contact with skin and if swallowed.; R33: Danger of cumulative effects.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid rele Acros Organics
Hazard T+: Very toxic Acros Organics
Hazard T+: Very toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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