UCSF

ZINC01648167

Substance Information

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

CAS Number: 590-36-3

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) 1.93 1.72 -1.89 1 1 0 20 102.177 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 103? Alfa-Aesar
Melting_Point 103° Alfa-Aesar
MP 109 - -107 Enamine Building Blocks
MP 109...-107 Enamine Building Blocks
Boiling_Point 120-122? Alfa-Aesar
Boiling_Point 120-122° Alfa-Aesar
BP 122 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0033255A1; EP0097013A2; EP0162208A2; EP0283310A1; EP0504812A2; EP0504812B1; EP0516486A2; EP0516486B1; EP0543526A1; EP0543526B1; EP0595546A1; EP0595546B1; EP0597107A1; EP0597107B1; EP0604150A1; EP0604150B1; EP0609031A1; EP0609031B1; EP0619345A1; EP061934 IBM Patent Data

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