UCSF

ZINC54954610

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 11 No

Popular Name: H-D-MET-OET HCL H-D-MET-OET HCL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2899-36-7 , 6297-53-6 , 7512-43-8 , [7512-43-8]

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) 0.21 2.96 -4.66 2 3 0 52 177.269 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 72-75? Alfa-Aesar
Melting_Point 72-75° Alfa-Aesar
MP 90-92° Fluorochem
Purity 95% Fluorochem
Purity 99% Fluorochem

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

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