UCSF

ZINC01589684

Substance Information

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

CAS Number: 1009-14-9

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) 3.71 7.68 -4.87 0 1 0 17 168.28 4

Vendor Notes

Note Type Comments Provided By
Mp [°C] 9 Acros Organics
Melting_Point 9? Alfa-Aesar
Melting_Point Alfa-Aesar
BP [°C] 105 - 107 (p=5 torr) Acros Organics
Boiling_Point 244-245? Alfa-Aesar
Boiling_Point 244-245° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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