UCSF

ZINC00439455

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 No

Popular Name: 2'-Methylacetoacetanilide 2'-Methylacetoacetanilide

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 93-68-5 , [93-68-5]

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) 1.33 6.41 -17.61 1 3 0 46 191.23 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 103 - 106 Acros Organics
MP 104 - 106 Enamine Building Blocks
Melting_Point 104-106? Alfa-Aesar
Melting_Point 104-106° Alfa-Aesar
MP 104...106 Enamine Building Blocks
MP 106 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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