UCSF

ZINC01712631

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 No

Popular Name: Ethyl (diethylamino)(oxo)acetate Ethyl (diethylamino)(oxo)acetate

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CAS Numbers: 5411-58-5 , [5411-58-5]

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) 0.65 4.91 -6.09 0 4 0 47 173.212 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 145-146°/26mm Matrix Scientific
Warnings IRRITANT Matrix Scientific

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