UCSF

ZINC01576991

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 6 No

Popular Name: 2-chloro-N-methylacetamide 2-chloro-N-methylacetamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 96-30-0 , [96-30-0]

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) 0.02 0.29 -9.31 1 2 0 29 107.54 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 112-115°/15mm Oakwood Chemical
BP 112-115°/20mm Matrix Scientific
MP 115 - 117 Enamine Building Blocks
MP 38-40° Matrix Scientific
MP 45 - 47 Enamine Building Blocks
Melting_Point 45-47? Alfa-Aesar
Melting_Point 45-47° Alfa-Aesar
MP 45...47 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.