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hexahydro-2-[(trans-2-phenylcyclobutyl)imino]-1H-azepine, monohydrochloride

View entire compound with spectra: 1 NMR, and 1 FTIR

hexahydro-2-[(trans-2-phenylcyclobutyl)imino]-1H-azepine, monohydrochloride
SpectraBase Compound ID 7A41DgrGaTM
InChI InChI=1S/C16H22N2.ClH/c1-3-7-13(8-4-1)14-10-11-15(14)18-16-9-5-2-6-12-17-16;/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,17,18);1H/t14-,15+;/s2
InChIKey WLKYTEZORSVBDN-AJYMSAGVSA-N
Mol Weight 278.83 g/mol
Molecular Formula C16H23ClN2
Exact Mass 278.154976 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1uKkJOSb9Oc
Name HEXAHYDRO-2-[(trans-2-PHENYLCYCLOBUTYL)IMINO]-1H-AZEPINE, MONOHYDROCHLORIDE
Source of Sample J. M. Grisar, Merrell-National Laboratories, Cincinnati, Ohio
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23ClN2
InChI InChI=1S/C16H22N2.ClH/c1-3-7-13(8-4-1)14-10-11-15(14)18-16-9-5-2-6-12-17-16;/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,17,18);1H/t14-,15+;/s2
InChIKey WLKYTEZORSVBDN-AJYMSAGVSA-N
Literature Reference J. MED. CHEM. 16, 679(1973)
Melting Point 225-226C
Molecular Weight 278.824005
Synonyms 1H-AZEPINE, HEXAHYDRO-2-//TRANS- 2-PHENYLCYCLOBUTYL/IMINO/-, MONOHYDRO- CHLORIDE
Technique KBr WAFER