UCSF

ZINC00152720

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 2-piperidinobenzonitrile 2-piperidinobenzonitrile

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CAS Numbers: 72752-52-4 , [72752-52-4]

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) 2.66 0.97 -6.43 0 2 0 27 186.258 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 122-125?/1mm Alfa-Aesar
Boiling_Point 122-125°/1mm Alfa-Aesar
Melting_Point 41-45? Alfa-Aesar
Melting_Point 41-45° Alfa-Aesar
Purity 97% Fluorochem
melting_point BP: (1mm Hg) 120 KeyOrganics

Activity (Go SEA)

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