UCSF

ZINC00144582

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

CAS Number: 21702-84-1

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) 3.54 -0.22 -3.48 0 1 0 9 265.932 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 101 - 106 (p=1 torr) Acros Organics
BP 101 / 1 TCI
BP 101-106°/1mm Fluorochem
Mp [°C] 60 - 64 Acros Organics
Melting_Point 60-64? Alfa-Aesar
Melting_Point 60-64° Alfa-Aesar
MP 61-63° Fluorochem
MP 63 TCI
Boiling_Point 82-88?/0.3mm Alfa-Aesar
Boiling_Point 82-88°/0.3mm Alfa-Aesar
Purity 98% Fluorochem
Purity >98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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