Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Azepine-1-ethanol, hexahydro-alpha-(3,4-dihydroxyphenyl)-
ID: CM31050000
InChIKey: NDQIFXWYGJKTNQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O3

Molecular Weight

  • 251.3239
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Benzyl alcohol, 3,4-dihydroxy-alpha-(hexahydro-1-azepinylmethyl)-
  • Hexahydro-alpha-(3,4-dihydroxyphenyl)-1H-azepine-1-ethanol
  • Protocatechuyl alcohol, alpha-(hexahydro-1-azepinylmethyl)-

Systematic Name

  • 1H-Azepine-1-ethanol, hexahydro-alpha-(3,4-dihydroxyphenyl)-

Registry Numbers

ID Number

  • NIOSH/CM3105000

System Generated Number

  • CM31050000

Structure Descriptors

InChI

1S/C14H21NO3/c16-12-6-5-11(9-13(12)17)14(18)10-15-7-3-1-2-4-8-15/h5-6,9,14,16-18H,1-4,7-8,10H2

InChIKey

NDQIFXWYGJKTNQ-UHFFFAOYSA-N

Smiles

OC(CN1CCCCCC1)c2ccc(O)c(O)c2