UCSF

ZINC00001684

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) 1.52 0.92 -4.74 1 2 0 29 124.139 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 243 Acros Organics
Boiling_Point 243-246? Alfa-Aesar
Boiling_Point 243-246° Alfa-Aesar
BP 243° Oakwood Chemical
Mp [°C] 48 - 55 Acros Organics
MP 55 - 57 Enamine Building Blocks
MP 55-57° Oakwood Chemical
Melting_Point 55-58? Alfa-Aesar
Melting_Point 55-58° Alfa-Aesar
Melting_Point 55-65? Alfa-Aesar
Melting_Point 55-65° Alfa-Aesar
MP 55...57 Enamine Building Blocks
Mp [°C] 56 - 57 Acros Organics
MP 57 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 99% Fluorochem
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H351: Suspected of causing cancer; H411: Toxic to aquatic life with long lasting effects Acros Organics
H phrase H302: Harmful if swallowed; H317: May cause an allergic skin reaction; H319: Causes serious eye irritation Acros Organics
H phrase H317: May cause an allergic skin reaction Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Target Others Selleck Chemicals
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash wi Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy t Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R40: Limited evidence of a carcinogenic effect.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
R phrase R22: Harmful if swallowed.; R36: Irritating to eyes.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection.; S46: If swallowed, seek medical advice immediately and sh Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S29: Do not empty into drains.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S61: Avoid release to the environment. Refer Acros Organics
Therapy skin depigmentor SMDC Pharmakon
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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