UCSF

ZINC00400318

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: 3,5-Dimethoxyphenylacetonitrile 3,5-Dimethoxyphenylacetonitrile

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CAS Number: 13388-75-5

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) 1.94 4.27 -9.91 0 3 0 42 177.203 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 52 - 54 Enamine Building Blocks
MP 52-54° Matrix Scientific
MP 52...54 Enamine Building Blocks
Melting_Point 53-56? Alfa-Aesar
Melting_Point 53-56° Alfa-Aesar
MP 55-57° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem
Purity 99% Matrix Scientific
Warnings IRRITANT-HARMFUL Matrix Scientific

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