UCSF

ZINC02598070

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 13 Yes

Popular Name: 1-(2-Trifluoromethylphenyl)ethylamine 1-(2-Trifluoromethylphenyl)ethyl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 127733-39-5 , 127733-46-4 , 273384-78-4 , 39959-68-7 , 865815-09-4 , 949033-22-1 , [127733-39-5]

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) 0.65 4.06 -34.94 3 1 1 28 190.188 2 ↓
Hi High (pH 8-9.5) 5.96 18.54 -22.74 0 8 0 105 520.578 12 ↓

Vendor Notes

Note Type Comments Provided By
MP 227 - 229 Enamine Building Blocks
MP 227...229 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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