UCSF

ZINC21950001

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 13 Yes

Popular Name: 1-(3-methyl-1-benzofuran-2-yl)ethan-1-amine hydrochloride 1-(3-methyl-1-benzofuran-2-yl)et…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1172557-88-8 , 147724-88-7 , 1807937-58-1

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) 0.74 4.33 -45.15 3 2 1 41 176.239 1 ↓

Vendor Notes

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

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