4-(5-amino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,4,6-trien-3-ylidene)cyclohexa-2,5-dien-1-one

Modify Date: 2025-08-24 16:51:18

4-(5-amino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,4,6-trien-3-ylidene)cyclohexa-2,5-dien-1-one Structure
4-(5-amino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,4,6-trien-3-ylidene)cyclohexa-2,5-dien-1-one structure
Common Name 4-(5-amino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,4,6-trien-3-ylidene)cyclohexa-2,5-dien-1-one
CAS Number 21313-80-4 Molecular Weight 227.22200
Density 1.65g/cm3 Boiling Point 397.9ºC at 760 mmHg
Molecular Formula C11H9N5O Melting Point N/A
MSDS N/A Flash Point 194.5ºC

 Names

Name 4-(4-amino-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-ylidene)cyclohexa-2,5-dien-1-one

 Chemical & Physical Properties

Density 1.65g/cm3
Boiling Point 397.9ºC at 760 mmHg
Molecular Formula C11H9N5O
Molecular Weight 227.22200
Flash Point 194.5ºC
Exact Mass 227.08100
PSA 100.71000
LogP 1.88890
Vapour Pressure 1.53E-06mmHg at 25°C
Index of Refraction 1.837
InChIKey XFXOWXUYKHEFTB-UHFFFAOYSA-N
SMILES Nc1nc(-c2ccc(O)cc2)nc2[nH]ncc12
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