UCSF

ZINC01570209

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: AZULENE AZULENE

Find On: PubMed — Wikipedia — Google

CAS Number: 275-51-4

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) 3.17 1.37 -6.1 0 0 0 0 128.174 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 100 TCI
Boiling_Point 241-243? Alfa-Aesar
Boiling_Point 241-243° Alfa-Aesar
BP [°C] 242 Acros Organics
Melting_Point 98-101? Alfa-Aesar
Melting_Point 98-101° Alfa-Aesar
Mp [°C] 99 - 101 Acros Organics
Patent Database Links EP1120119; EP1357103; EP1553094; EP1591099; EP1783122; EP1813620; EP1847533; EP1918277; US2002019440; US2002165206; US2003158259; US2005009870; US2005014786; US2005080087; US2005119295; US2005124555; US2005171181; US2005244349; US2007197549; US2007254874 ChEBI
SOLUBILITY Hexane Indofine
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.