UCSF

ZINC01438355

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 10 Yes

Popular Name: N-(tert-Butyl)-2-cyanoacetamide N-(tert-Butyl)-2-cyanoacetamide

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CAS Numbers: , 108168-88-3 , [108168-88-3]

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) 0.06 2.28 -15 1 3 0 53 140.186 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 104-107° Oakwood Chemical
Warnings IRRITANT Matrix Scientific

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