UCSF

ZINC08579298

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 11 Yes

Popular Name: 2-Hydroxyquinoline 2-Hydroxyquinoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104534-80-7 , 1321-40-0 , 59-31-4 , 70254-42-1 , [70254-42-1]

Download: MOL2 SDF SMILES Flexibase

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) 1.16 3.55 -9.35 1 2 0 33 145.161 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 196-199? Alfa-Aesar
Melting_Point 196-199° Alfa-Aesar
MP 197 TCI
Mp [°C] 197 - 200 Acros Organics
ALOGPS_SOLUBILITY 2.45e+00 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Patent Database Links EP0826677; EP1142877; EP1285917; EP1375503; EP1489080; EP1623979; EP1649857; EP1661892; EP1845088; US2004151763; US2005256099; US2006079504; US2006094767; US2006194797; US2007202177; US2007244099; WO2005032468; WO2005070892; WO2005085242; WO2005123077; WO ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H335: May cause respiratory irritation; H312: Harmful in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H332: Harmful if inhaled 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
UniProt Database Links Q2OA_COMTE; Q2OB_COMTE; Q2OG_COMTE ChEBI
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 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. 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
Patent Database Links WO2005090357 ChEBI
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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