UCSF

ZINC00404286

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) 0.75 -0.91 -5.59 2 3 0 48 124.143 1
Mid Mid (pH 6-8) 0.75 -0.2 -27.27 3 3 1 49 125.151 1

Vendor Notes

Note Type Comments Provided By
BP 120 / 15 TCI
BP 125-126°/10 Torr Matrix Scientific
Mp [°C] 29 - 31 Acros Organics
Melting_Point 29-31? Alfa-Aesar
MP 29-31° Matrix Scientific
MP 29...31 Enamine Building Blocks
BP [°C] 85 - 90 (p=1 torr) Acros Organics
Boiling_Point 85-90?/1mm Alfa-Aesar
BP 85-90°/1mm Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 90% APIChem
purity 95 Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye 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. 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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