UCSF

ZINC15635587

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2008 13 Yes

Popular Name: 2-[(dimethylamino)methyl]benzoic acid hydrochloride 2-[(dimethylamino)methyl]benzoic…

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CAS Numbers: 55741-01-0 , 90279-38-2

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) 1.26 6.12 -42.77 1 3 0 45 179.219 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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