UCSF

ZINC13322887

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 12 Yes

Popular Name: 2-chloro-N,N-dimethylnicotinamide 2-chloro-N,N-dimethylnicotinamide

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CAS Numbers: 52943-21-2 , [52943-21-2]

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) 0.64 2.98 -13 0 3 0 33 184.626 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 63-65? Alfa-Aesar
MP 69 - 71 Enamine Building Blocks
MP 69...71 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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