UCSF

ZINC54962211

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 12 Yes

Popular Name: 1,3-Dimethyladamantane 1,3-Dimethyladamantane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 702-79-4 , [702-79-4]

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) 3.86 7.64 0.07 0 0 0 0 164.292 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 201 TCI
Boiling_Point 201? Alfa-Aesar
Boiling_Point 201° Alfa-Aesar
Purity 95% Fluorochem

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Rings

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

No pre-computed analogs available. Try a structural similarity search.