UCSF

ZINC00967330

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) 0.80 3.96 -4.54 0 1 0 13 107.156 0
Lo Low (pH 4.5-6) 0.80 4.21 -25.63 1 1 1 14 108.164 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 6 Acros Organics
MP 6 - -4 Enamine Building Blocks
MP 6 - -6 Enamine Building Blocks
MP 6...-4 Enamine Building Blocks
Melting_Point 7? Alfa-Aesar
Melting_Point Alfa-Aesar
BP [°C] 143 - 145 Acros Organics
Boiling_Point 143-145? Alfa-Aesar
Boiling_Point 143-145° Alfa-Aesar
BP 144 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Patent Database Links EP0789020; EP0824096; EP0924206; EP0949244; EP1033368; EP1138685; EP1273583; EP1439171; EP1561748; EP1602654; EP1803725; US2003069277; US2004014940; US2005026978; US2005038105; US2005059800; US2005070593; US2006047108; US2006047117; US2007043035; US200724 ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H302: Harmful if swallowed; H226: Flammable liquid and vapor 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P270: Do not eat, drink or smoke when using this product Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R21/22: Harmful in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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
Hazard XN: Harmful Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.