UCSF

ZINC02388233

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 14 Yes

Popular Name: 1-(2-aminoethoxy)-3-(trifluoromethyl)benzene hydrochloride 1-(2-aminoethoxy)-3-(trifluorome…

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CAS Numbers: 104774-96-1 , 29969-15-1

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) 1.67 3.22 -46.13 3 2 1 37 206.187 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 142 - 147 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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