UCSF

ZINC00153926

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Substance Information

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

Popular Name: 1-(4-Isopropoxyphenyl)methanamine 1-(4-Isopropoxyphenyl)methanamine

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CAS Numbers: 100131-60-0 , 21244-34-8 , 387350-82-5 , [100131-60-0] , [21244-34-8]

Download: MOL2 SDF SMILES Flexibase

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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) 1.92 3.38 -45.85 3 2 1 37 166.244 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 74°/0.23mm Fluorochem
BP 74°/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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Analogs ( Draw Identity 99% 90% 80% 70% )