UCSF

ZINC19737246

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 13 Yes

Popular Name: 1-(3-Isopropoxyphenyl)ethanamine 1-(3-Isopropoxyphenyl)ethanamine

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CAS Numbers: , 854304-17-9

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) 0.57 4.1 -45.56 3 2 1 37 180.271 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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