UCSF

ZINC02038766

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 11 No

Popular Name: N,N-Diethylacetoacetamide N,N-Diethylacetoacetamide

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CAS Numbers: 2235-46-3 , [2235-46-3]

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) 0.23 5.75 -15.07 0 3 0 37 157.213 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 116 / 12 TCI
Boiling_Point 213-218? Alfa-Aesar
Boiling_Point 213-218° Alfa-Aesar
MP 53 - 57 Enamine Building Blocks
MP 53...57 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Melting_Point <-73? Alfa-Aesar
Melting_Point <-73° Alfa-Aesar

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