UCSF

ZINC05019900

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 15 Yes

Popular Name: Benzo[1,3]dioxol-5-ylmethyl-(2-methoxy-ethyl)-amine Benzo[1,3]dioxol-5-ylmethyl-(2-m…

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CAS Numbers: 1049803-02-2 , 117986-59-1 , [1049803-02-2] , [117986-59-1]

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) 1.37 3.09 -44.76 2 4 1 44 210.253 5 ↓

Vendor Notes

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

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