UCSF

ZINC19090157

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 13 Yes

Popular Name: {3-[(dimethylamino)methyl]benzyl}methylamine dihydrochloride {3-[(dimethylamino)methyl]benzyl…

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CAS Numbers: , 1185149-23-8 , 915924-83-3

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) 1.28 6.35 -90.98 3 2 2 21 180.295 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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