UCSF

ZINC02019119

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 12 Yes

Popular Name: 2-(benzo[b]thiophen-3-yl)ethanamine 2-(benzo[b]thiophen-3-yl)ethanamine

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CAS Numbers: 14585-66-1 , 19985-71-8 , [14585-66-1]

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) 1.82 -2.42 -49.19 3 1 1 27 178.28 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 222 - 224 Enamine Building Blocks
MP 222...224 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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