UCSF

ZINC00153924

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 Yes

Popular Name: (2-Isopropoxyphenyl)methanamine (2-Isopropoxyphenyl)methanamine

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CAS Numbers: 1216545-76-4 , 227199-51-1 , 386715-42-0 , [227199-51-1]

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) 1.87 3.43 -38.51 3 2 1 37 166.244 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 53-56°/0.08mm Oakwood Chemical
BP 70°/0.3mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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