UCSF

ZINC00055052

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: Ethyl N-(diphenylmethylene)glycinate Ethyl N-(diphenylmethylene)glyci…

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CAS Numbers: 69555-14-2 , [69555-14-2]

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) 3.09 8.8 -8.61 0 3 0 39 267.328 6 ↓
Lo Low (pH 4.5-6) 3.09 9.54 -26.97 1 3 1 40 268.336 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 195 / 2 TCI
MP 51 - 53 Enamine Building Blocks
Mp [°C] 51 - 55 Acros Organics
MP 51-53° Fluorochem
Melting_Point 51-55? Alfa-Aesar
Melting_Point 51-55° Alfa-Aesar
MP 52 TCI
MP 52 - 54 Enamine Building Blocks
MP 52...54 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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