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Substance Name: Octamylamine [INN:DCF]
RN: 502-59-0
UNII: S0737084O9
InChIKey: RRWTWWBIHKIYTH-UHFFFAOYSA-N

Molecular Formula

  • C13-H29-N

Molecular Weight

  • 199.379
 
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Names and Synonyms

Name of Substance

  • Octamylamine [INN:DCF]

Synonyms

  • 2-Isoamylamino-6-methylheptane
  • 3-04-00-00387 (Beilstein Handbook Reference)
  • BRN 1739790
  • EINECS 207-947-0
  • Ludoctal
  • Neo-octon
  • Octamilamina
  • Octamilamina [INN-Spanish]
  • Octamylamine
  • Octamylaminum
  • Octamylaminum [INN-Latin]
  • Octin D
  • Octinum D
  • Octisamyl
  • Octometine
  • Oktin D
  • UNII-S0737084O9

Systematic Names

  • Hexylamine, 1,5-dimethyl-N-isopentyl-
  • N-Isopentyl-1,5-dimethylhexylamine
  • Octamylamine

Registry Numbers

CAS Registry Number

  • 502-59-0

FDA UNII

  • S0737084O9

System Generated Number

  • 0000502590

Structure Descriptors

InChI

1S/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3

InChIKey

RRWTWWBIHKIYTH-UHFFFAOYSA-N

Smiles

C([C@@H](NCCC(C)C)C)CCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 16500ug/kg (16.5mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 227, Pg. 71, 1955.
mouse LD50 subcutaneous 88500ug/kg (88.5mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 227, Pg. 71, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 5.010 (none)   EST
Atmospheric OH Rate Constant 1.07E-10 cm3/molecule-sec 25 EST

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