UCSF

ZINC00061072

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 4-Morpholin-4-yl-4-oxobutan-2-one 4-Morpholin-4-yl-4-oxobutan-2-one

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CAS Numbers: 16695-54-8 , [16695-54-8]

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) -0.67 3.42 -16.18 0 4 0 47 171.196 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 140 / 2 TCI
melting_point 54 - 56 KeyOrganics
MP 68 TCI
MP 68 - 70 Enamine Building Blocks
MP 68...70 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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