3-[(Hexahydro-1H-azepin-1-yl)methyl]benzoic acid

CAS Registry Number®

915922-86-0

CAS Name

3-[(Hexahydro-1H-azepin-1-yl)methyl]benzoic acid

Molecular Formula

C14H19NO2

Molecular Mass

233.31

Cite this Page

3-[(Hexahydro-1H-azepin-1-yl)methyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=915922-86-0 (retrieved 2024-12-19) (CAS RN: 915922-86-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H19NO2/c16-14(17)13-7-5-6-12(10-13)11-15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11H2,(H,16,17)

InChIKey

InChIKey=QBXMVVPNPBTXLH-UHFFFAOYSA-N

SMILES

C(C1=CC(C(O)=O)=CC=C1)N2CCCCCC2

Canonical SMILES

O=C(O)C1=CC=CC(=C1)CN2CCCCCC2

Other Names for this Substance

  • Benzoic acid, 3-[(hexahydro-1H-azepin-1-yl)methyl]-
  • 3-[(Hexahydro-1H-azepin-1-yl)methyl]benzoic acid

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