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Home >> Chemical Listing >> Page 716 >> 1,2,3,7-Tetrahydro-6H-Purin-6-One

1,2,3,7-Tetrahydro-6H-Purin-6-One
[CAS# 176181-61-6]

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Identification
Name 1,2,3,7-Tetrahydro-6H-Purin-6-One
Synonyms 2,3-dihydro-1H-purin-6(7H)-one
Molecular Structure CAS#: 176181-61-6, 1,2,3,7-Tetrahydro-6H-Purin-6-One
Molecular Formula C5H6N4O
Molecular Weight 138.13
CAS Registry Number 176181-61-6
SMILES O=C2NCNc1ncnc12
InChI 1S/C5H6N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1,8H,2H2,(H,6,7)(H,9,10)
InChIKey CGTXYEVJPWEPGW-UHFFFAOYSA-N
Properties
Density 1.433g/cm3 (Cal.)
Boiling point 768.182°C at 760 mmHg (Cal.)
Flash point 418.381°C (Cal.)
Refractive index 1.604 (Cal.)
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