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Substance Name: Methylhexaneamine
RN: 105-41-9
UNII: X49C572YQO
InChIKey: YAHRDLICUYEDAU-UHFFFAOYSA-N

Note

  • U.S. FDA Announcement 4/11/2013: "The Food and Drug Administration (FDA) is using all available tools at its disposal to ensure that dietary supplements containing a stimulant called dimethylamylamine (DMAA) are no longer distributed and available for sale to consumers in the marketplace."

Molecular Formula

  • C7-H17-N

Molecular Weight

  • 115.2183
 

Classification Code

  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • 1,3-Dimethylamylamine
  • Methylhexaneamine

Synonyms

  • 1,3-Dimethylamylamine
  • 1,3-Dimethylpentylamine
  • 1,3-DMAA
  • 2-Amino-4-methylhexane
  • 2-Hexanamine
  • 4-04-00-00747 (Beilstein Handbook Reference)
  • 4-Methyl-2-hexanamine
  • 4-Methyl-2-hexylamine
  • AI3-16556
  • BRN 1731697
  • Dimethylamylamine
  • DMAA [Dietary Supplement]
  • EINECS 203-296-1
  • Forthan
  • Forthane
  • Geranamine
  • HSDB 5730
  • HSDB 8164
  • Methylhexanamine
  • Methylhexaneamine
  • NSC 1106
  • UNII-X49C572YQO

Systematic Names

  • 1,3-Dimethylpentylamine
  • 2-Hexanamine, 4-methyl-
  • Pentylamine, 1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 105-41-9

FDA UNII

  • X49C572YQO

System Generated Number

  • 0000105419

Structure Descriptors

InChI

1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3

InChIKey

YAHRDLICUYEDAU-UHFFFAOYSA-N

Smiles

CCC(C)CC(C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 185mg/kg (185mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 957, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 132.5 deg C   EXP
log P (octanol-water) 2.160 (none)   EST
Atmospheric OH Rate Constant 4.92E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.