UCSF

ZINC02013553

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 10 Yes

Popular Name: 1,2-DIETHYLBENZENE 1,2-DIETHYLBENZENE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 135-01-3 , 25340-17-4

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) 3.72 7.06 -1.72 0 0 0 0 134.222 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 31 - -29 Enamine Building Blocks
MP 31...-29 Enamine Building Blocks
Melting_Point 31? Alfa-Aesar
Melting_Point 31° Alfa-Aesar
Boiling_Point 182-184? Alfa-Aesar
Boiling_Point 182-184° Alfa-Aesar
Boiling_Point 183? Alfa-Aesar
Boiling_Point 183° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.