UCSF

ZINC09239450

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 12 Yes

Popular Name: (2-isobutoxyphenyl)amine (2-isobutoxyphenyl)amine

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CAS Numbers: 104065-95-4 , 124769-90-0 , N/A , [124769-90-0]

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) 2.55 -0.28 -3.08 2 2 0 35 165.236 3 ↓

Vendor Notes

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

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