UCSF

ZINC00119317

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 4,4'-Trimethylenedipyridine 4,4'-Trimethylenedipyridine

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CAS Number: 17252-51-6

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) 2.11 6.98 -7.63 0 2 0 26 198.269 4 ↓
Lo Low (pH 4.5-6) 2.11 7.44 -36.05 1 2 1 27 199.277 4 ↓
Lo Low (pH 4.5-6) 2.11 7.89 -75.94 2 2 2 28 200.285 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 142?/2mm Alfa-Aesar
Boiling_Point 142°/2mm Alfa-Aesar
Melting_Point 53-56? Alfa-Aesar
Melting_Point 53-56° Alfa-Aesar
MP 62 TCI

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