UCSF

ZINC08294956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2006 8 Yes

CAS Numbers: 100-71-0 , 1484-80-6 , [100-71-0]

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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) 1.32 4.16 -3.99 0 1 0 13 107.156 1
Lo Low (pH 4.5-6) 1.32 4.44 -27.43 1 1 1 14 108.164 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 63? Alfa-Aesar
Melting_Point 63° Alfa-Aesar
BP 144 TCI
Boiling_Point 149? Alfa-Aesar
Boiling_Point 149° Alfa-Aesar
PUBCHEM_PATENT_ID EP0169712A2; EP0177287A2; EP0516486A3; EP0767791A1; EP0845459A1; EP1036793A2; EP1036793A3; US4591377; US4698340; US4727073; US5252732; US5541317; US5550233; US5614624; US5681951; US5719275; WO1995035299A1 IBM Patent Data

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