UCSF

ZINC31494558

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 16 Yes

Popular Name: 4-(Trans-4-ethylcyclohexyl)benzonitrile 4-(Trans-4-ethylcyclohexyl)benzo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 72928-54-2 , 73592-81-1 , [72928-54-2]

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) 4.51 9.94 -4.09 0 1 0 24 213.324 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 39-41? Alfa-Aesar
Melting_Point 39-41° Alfa-Aesar
MP 41 TCI
Melting_Point 41? Alfa-Aesar
Melting_Point 41° Alfa-Aesar
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0126883A1; US4528116 IBM Patent Data

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