UCSF

ZINC08580042

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Substance Information

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

Popular Name: 6-Methylquinoline 6-Methylquinoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 61255-60-5 , 91-62-3 , [61255-60-5]

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) 2.37 5.53 -6.23 0 1 0 13 143.189 0 ↓
Lo Low (pH 4.5-6) 2.37 5.96 -29.16 1 1 1 14 144.197 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 22? Alfa-Aesar
Melting_Point 22° Alfa-Aesar
Boiling_Point 257-259? Alfa-Aesar
Boiling_Point 257-259° Alfa-Aesar
BP [°C] 259 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H302: Harmful if swallowed; H315: Causes skin irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rins Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R38: Irritating to skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

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