UCSF

ZINC05330544

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 10 Yes

Popular Name: 3,5-Dimethyl-1,2-benzenediamine 3,5-Dimethyl-1,2-benzenediamine

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CAS Numbers: 3171-45-7 , 3171-46-8 , 59007-83-9

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) 1.66 -1.73 -3.57 4 2 0 52 136.198 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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