UCSF

ZINC00060967

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 2-cyano-N-(4-methoxybenzyl)acetamide 2-cyano-N-(4-methoxybenzyl)aceta…

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CAS Numbers: , 288154-72-3 , [288154-72-3]

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) 0.33 3.29 -16.54 1 4 0 62 204.229 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 122 - 124 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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