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7H-Purine-7-Carbonitrile
[CAS# 100450-02-0]

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Identification
Name 7H-Purine-7-Carbonitrile
Molecular Structure CAS#: 100450-02-0, 7H-Purine-7-Carbonitrile
Molecular Formula C6H3N5
Molecular Weight 145.12
CAS Registry Number 100450-02-0
SMILES C1=C2C(=NC=N1)N=CN2C#N
InChI 1S/C6H3N5/c7-2-11-4-10-6-5(11)1-8-3-9-6/h1,3-4H
InChIKey UVIOHJUJGXOAQU-UHFFFAOYSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
Boiling point 340.0±34.0°C at 760 mmHg (Cal.)
Flash point 159.4±25.7°C (Cal.)
Refractive index 1.802 (Cal.)
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