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Substance Name: Hexanamide, 2-ethyl-5-methyl-
RN: 102450-10-2
InChIKey: MXZJHUFPDPEROD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H19-N-O

Molecular Weight

  • 157.255
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-5-methylhexanamide
  • 3-02-00-00830 (Beilstein Handbook Reference)
  • BRN 1754245

Systematic Name

  • Hexanamide, 2-ethyl-5-methyl-

Registry Numbers

CAS Registry Number

  • 102450-10-2

System Generated Number

  • 0102450102

Structure Descriptors

InChI

1S/C9H19NO/c1-4-8(9(10)11)6-5-7(2)3/h7-8H,4-6H2,1-3H3,(H2,10,11)

InChIKey

MXZJHUFPDPEROD-UHFFFAOYSA-N

Smiles

C([C@@H](C(N)=O)CC)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 2gm/kg (2000mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 180, 1941.
rat LDLo intraperitoneal 425mg/kg (425mg/kg) BEHAVIORAL: SLEEP Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 180, 1941.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.130 (none)   EST
Water Solubility 700 mg/L 15 EXP
Atmospheric OH Rate Constant 1.66E-11 cm3/molecule-sec 25 EST

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