UCSF

ZINC01701249

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 11 Yes

Popular Name: 3-Methylquinoline 3-Methylquinoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1873-55-8 , 612-58-8 , [612-58-8]

Download: MOL2 SDF SMILES Flexibase

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 0.6 -6.25 0 1 0 12 143.189 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 15? Alfa-Aesar
Melting_Point 15° Alfa-Aesar
MP 16 - 17 Enamine Building Blocks
MP 16...17 Enamine Building Blocks
Boiling_Point 252-253? Alfa-Aesar
Boiling_Point 252-253° Alfa-Aesar
BP 260 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
UniProt Database Links Q2OA_COMTE; Q2OB_COMTE; Q2OG_COMTE ChEBI

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