UCSF

ZINC01685143

Substance Information

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

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) 1.08 2.79 -2.5 0 1 0 9 98.145 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 118-120?/713mm Alfa-Aesar
Boiling_Point 118-120°/713mm Alfa-Aesar
BP [°C] 119 (p=713 torr) Acros Organics
BP 120 TCI
Hazard F: Highly flammable Acros Organics
H phrase H225: Highly flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P240: Ground/Bond container and receiving equipment Acros Organics
R phrase R11: Highly flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

Activity (Go SEA)

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