UCSF

ZINC04516946

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 13 No

Popular Name: 3-Azepan-1-yl-2,2-dimethyl-propionaldehyde 3-Azepan-1-yl-2,2-dimethyl-propi…

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CAS Numbers: 842971-09-9 , [842971-09-9]

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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) 2.73 1.88 -39.43 1 2 1 22 184.303 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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