UCSF

ZINC00158607

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 4-Quinolinecarboxaldehyde 4-Quinolinecarboxaldehyde

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CAS Numbers: 4363-93-3 , [4363-93-3]

Download: MOL2 SDF SMILES Flexibase

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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) 1.96 4.51 -8.46 0 2 0 30 157.172 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 123 / 4 TCI
Boiling_Point 131-133?/5mm Alfa-Aesar
Boiling_Point 131-133°/5mm Alfa-Aesar
Mp [°C] 45 - 52 Acros Organics
Melting_Point 48-52? Alfa-Aesar
Melting_Point 48-52° Alfa-Aesar
MP 50 TCI
MP 50 - 52 Enamine Building Blocks
MP 50...52 Enamine Building Blocks
MP 51 - 52 Enamine Building Blocks
MP 52 - 52 Enamine Building Blocks
MP 52 - 54 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% 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 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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