UCSF

ZINC00081439

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 17 Yes

Popular Name: 1-[2-(Diethylamino)ethyl]-1H-benzimidazol-2-amine 1-[2-(Diethylamino)ethyl]-1H-ben…

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CAS Numbers: 38652-79-8 , [38652-79-8]

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) 2.08 8.88 -45.58 3 4 1 48 233.339 5 ↓
Hi High (pH 8-9.5) 2.08 6.77 -7.8 2 4 0 47 232.331 5 ↓
Mid Mid (pH 6-8) 2.08 9.33 -90.91 4 4 2 50 234.347 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 115 - 117 Enamine Building Blocks
MP 129 - 131 Enamine Building Blocks
MP 129...131 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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