Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyrimido(1,2-a)azepinium, 2,3,4,6,7,8,9,10-octahydro-1-(phenylmethyl)-, tetraphenylborate(1-) (1:1)
RN: 114367-12-3
InChIKey: BSVAQMFSSBXYTG-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C24-H20-B.C16-H23-N2

Molecular Weight

  • 562.6047
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Pyrimido(1,2-a)azepinium, 2,3,4,6,7,8,9,10-octahydro-1-(phenylmethyl)-, tetraphenylborate(1-)
  • Pyrimido(1,2-a)azepinium, 2,3,4,6,7,8,9,10-octahydro-1-(phenylmethyl)-, tetraphenylborate(1-) (1:1)

Registry Numbers

CAS Registry Number

  • 114367-12-3

Other Registry Number

  • 245069-55-0

System Generated Number

  • 0114367123

Molecular Formulas

Molecular Formula

  • C24-H20-B.C16-H23-N2

Molecular Formula Fragments

  • C16-H23-N2
  • C24-H20-B
  • COMPONENT

Structure Descriptors

InChI

1S/C24H20B.C16H23N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-8-15(9-4-1)14-18-13-7-12-17-11-6-2-5-10-16(17)18/h1-20H;1,3-4,8-9H,2,5-7,10-14H2/q-1;+1

InChIKey

BSVAQMFSSBXYTG-UHFFFAOYSA-N

Smiles

[N+]12=C(N(Cc3ccccc3)CCC1)CCCCC2.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1