UCSF

ZINC06883638

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2006 13 Yes

Popular Name: (3-chlorobenzyl)isobutylamine (3-chlorobenzyl)isobutylamine

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CAS Number: 893589-64-5

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) 3.27 0.42 -40.57 2 1 1 16 198.717 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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