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Home >> Chemical Listing >> Page 2837 >> 5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaen-13-one

5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaen-13-one
[CAS# 873302-30-8]

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Identification
Name 5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaen-13-one
Synonyms Varenicline Lactam
Molecular Structure CAS#: 873302-30-8, 5,8,14-Triazatetracyclo[10.3.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexadeca-2,4(9),5,7,10-pentaen-13-one
Molecular Formula C13H11N3O
Molecular Weight 225.25
CAS Registry Number 873302-30-8
SMILES c1cnc2cc3c(cc2n1)C4CC3C(=O)NC4
InChI 1S/C13H11N3O/c17-13-10-3-7(6-16-13)8-4-11-12(5-9(8)10)15-2-1-14-11/h1-2,4-5,7,10H,3,6H2,(H,16,17)
InChIKey MQEPJJGUAJITEU-UHFFFAOYSA-N
Properties
Density 1.358g/cm3 (Cal.)
Boiling point 520.919°C at 760 mmHg (Cal.)
Flash point 268.842°C (Cal.)
Refractive index 1.687 (Cal.)
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