UCSF

ZINC02533933

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: (2,3-Dichlorobenzyl)methylamine (2,3-Dichlorobenzyl)methylamine

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CAS Numbers: 39959-78-9 , 731827-07-9 , [731827-07-9]

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) 2.76 -0.25 -37.73 2 1 1 17 191.081 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 180 - 188 Enamine Building Blocks
MP 180...188 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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