UCSF

ZINC02510237

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 3-Isopropoxyaniline 3-Isopropoxyaniline

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CAS Numbers: 41406-00-2 , [41406-00-2]

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) 1.79 3.21 -4.15 2 2 0 35 151.209 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 244-245° Matrix Scientific
BP 245 TCI
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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