UCSF

ZINC00152958

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 2-Cyano-N-isopropylacetamide 2-Cyano-N-isopropylacetamide

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CAS Numbers: 52573-74-7 , [52573-74-7]

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) -0.45 1.8 -15.75 1 3 0 53 126.159 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 68-72° Oakwood Chemical
MP 73 - 75 Enamine Building Blocks
MP 73...75 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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