UCSF

ZINC00080859

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 4-Methylbenzamide 4-Methylbenzamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 619-55-6 , [619-55-6]

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) 1.21 1.95 -8.56 2 2 0 43 135.166 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 158-160? Alfa-Aesar
Melting_Point 158-160° Alfa-Aesar
MP 159 TCI
MP 159-161° Fluorochem
Purity 98% Fluorochem
PUBCHEM_PATENT_ID US4406835 IBM Patent Data

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