UCSF

ZINC01672878

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: HEXAMETHYLBENZENE HEXAMETHYLBENZENE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 67421-02-7 , 87-85-4 , [87-85-4]

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) 4.34 7.81 -3 0 0 0 0 162.276 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 163-167? Alfa-Aesar
Melting_Point 163-167° Alfa-Aesar
MP 165 TCI
Mp [°C] 165 - 168 Acros Organics
BP [°C] 264 Acros Organics
Boiling_Point 265? Alfa-Aesar
Boiling_Point 265° Alfa-Aesar
Patent Database Links EP0807632; EP1953140; US2007232653; WO2005123684; WO2006008562 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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