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Home >> Chemical Listing >> Page 1624 >> 3,4,5,8,10-Pentaazatricyclo[6.2.1.02,6]Undeca-1,3,6,9-Tetraene

3,4,5,8,10-Pentaazatricyclo[6.2.1.02,6]Undeca-1,3,6,9-Tetraene
[CAS# 478919-91-4]

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Identification
Name 3,4,5,8,10-Pentaazatricyclo[6.2.1.02,6]Undeca-1,3,6,9-Tetraene
Synonyms 1H-4,7-methano[1,2,3]triazolo[4,5-e][1,3]diazepine
Molecular Structure CAS#: 478919-91-4, 3,4,5,8,10-Pentaazatricyclo[6.2.1.0<Sup>2,6</Sup>]Undeca-1,3,6,9-Tetraene
Molecular Formula C6H5N5
Molecular Weight 147.14
CAS Registry Number 478919-91-4
SMILES C1C2=c3c(=CN1C=N2)[nH]nn3
InChI 1S/C6H5N5/c1-4-6-5(8-10-9-6)2-11(1)3-7-4/h2-3H,1H2,(H,8,9)
InChIKey OTYREZRZAHJBPP-UHFFFAOYSA-N
Properties
Density 2.012g/cm3 (Cal.)
Boiling point 202.319°C at 760 mmHg (Cal.)
Flash point 76.16°C (Cal.)
Refractive index 2.092 (Cal.)
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