UCSF

ZINC01680824

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 9 Yes

Popular Name: Indane Indane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 496-11-7 , [496-11-7]

Download: MOL2 SDF SMILES Flexibase

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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) 2.38 6.39 -2.33 0 0 0 0 118.179 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 51 Acros Organics
Melting_Point 51? Alfa-Aesar
Melting_Point 51° Alfa-Aesar
Boiling_Point 175-177? Alfa-Aesar
Boiling_Point 175-177° Alfa-Aesar
BP [°C] 176 Acros Organics
BP 179 TCI
UniProt Database Links AK1C1_HUMAN; AK1C1_MACFA; AK1C1_MACFU; AK1C1_PONAB; AK1C2_HUMAN; AK1C3_HUMAN; AK1C3_PONAB ChEBI
Patent Database Links EP1085009; EP1193254; EP1202120; EP1256575; EP1288206; EP1555267; EP1661881; EP1700844; EP1876179; US2002102612; US2003069287; US2004235023; US2005070720; US2005075325; US2005084506; US2005148493; US2005148583; US2005250814; US2005261325; US2006009455; US ChEBI
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

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