UCSF

ZINC01598717

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 9 Yes

Popular Name: 2-ETHYLTOLUENE 2-ETHYLTOLUENE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25550-14-5 , 611-14-3 , [611-14-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.25 1.94 -1.88 0 0 0 0 120.195 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 17? Alfa-Aesar
Melting_Point 17° Alfa-Aesar
Boiling_Point 164-165? Alfa-Aesar
Boiling_Point 164-165° Alfa-Aesar
BP 166 TCI
Purity 98% Fluorochem
PUBCHEM_PATENT_ID US4173463 IBM Patent Data
Patent Database Links WO2005037821; WO2005123708; WO2006055321 ChEBI

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

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