UCSF

ZINC02559440

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: 1-(4-tert-Butylphenyl)ethanamine 1-(4-tert-Butylphenyl)ethanamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 511256-37-4 , 511256-38-5 , 89538-65-8 , 91552-71-5 , [511256-38-5] , [89538-65-8] , [91552-71-5]

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) 1.51 5.55 -41.9 3 1 1 28 178.299 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 90% Fluorochem
purity 95 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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