UCSF

ZINC08701217

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 14 Yes

Popular Name: N-1,N-1-Dimethyl-2-(trifluoromethyl)-1,4-benzenediamine N-1,N-1-Dimethyl-2-(trifluoromet…

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CAS Numbers: 54672-12-7 , [54672-12-7]

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) 1.94 4.34 -3.89 2 2 0 29 204.195 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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