UCSF

ZINC02171893

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 12 Yes

Popular Name: [2-(4-Chloro-2-methylphenoxy)ethyl]amine hydrochloride [2-(4-Chloro-2-methylphenoxy)eth…

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CAS Numbers: , 50912-66-8 , 857624-29-4

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) 1.85 3.47 -45.6 3 2 1 37 186.662 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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