Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,7-Heptanediamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)
RN: 19947-09-2
InChIKey: BNUBHKKNUUTHBT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H38-N2.2Cl-H.1/2H2-O

Molecular Weight

  • 439.511
 
* 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

Synonyms

  • 1,7-Bis(dimethylamino)-4-(2-(2-phenylethyl)phenyl)heptane dihydrochloride hemihydrate
  • 4-(o-Phenethylphenyl)-N,N,N',N'-tetramethyl-1,7-heptanediamine 2HCl hemihydrate

Systematic Name

  • 1,7-Heptanediamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 19947-09-2

System Generated Number

  • 0019947092

Molecular Formulas

Molecular Formula

  • C25-H38-N2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C25-H38-N2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H38N2.2ClH/c1-26(2)20-10-15-23(16-11-21-27(3)4)25-17-9-8-14-24(25)19-18-22-12-6-5-7-13-22;;/h5-9,12-14,17,23H,10-11,15-16,18-21H2,1-4H3;2*1H

InChIKey

BNUBHKKNUUTHBT-UHFFFAOYSA-N

Smiles

c1(c(CCc2ccccc2)cccc1)C(CCC[NH+](C)C)CCC[NH+](C)C.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 1880, 1968.