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Substance Name: Quaternium-15
RN: 4080-31-3
UNII: E40U03LEM0
InChIKey: UKHVLWKBNNSRRR-TYYBGVCCSA-M

Classification Codes

  • Agricultural Chemical
  • Germicide, Bactericide, Disinfectant
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C9-H16-Cl-N4.Cl

Molecular Weight

  • 251.159
 

Names and Synonyms

Results Name

  • Quaternium-15

Name of Substance

  • N-(3-Chloroallyl)hexaminium chloride
  • Quaternium-15

Synonyms

  • 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride
  • Caswell No. 181
  • CCRIS 1398
  • Cinartc 200
  • Dowco 184
  • Dowicide Q
  • Dowicil 100
  • Dowicil 75
  • EINECS 223-805-0
  • EPA Pesticide Chemical Code 017901
  • Hexamethylenetetramine chloroallyl chloride
  • HSDB 6820
  • N-(3-Chloroallyl)hexaminium chloride
  • NSC 172971
  • Quaternium 15
  • UNII-E40U03LEM0
  • XD-1840

Systematic Names

  • 3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride
  • 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-(3-chloro-2-propen-1-yl)-, chloride (1:1)
  • 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-(3-chloro-2-propenyl)-, chloride
  • Methenamine 3-chloroallylochloride
  • N-(3-Chloroallyl)hexaminium chloride

Superlist Names

  • 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride
  • 3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride
  • Hexamethylenetetramine chloroallyl chloride

Registry Numbers

CAS Registry Number

  • 4080-31-3

FDA UNII

  • E40U03LEM0

Other Registry Numbers

  • 103638-29-5
  • 60789-82-4

System Generated Number

  • 0004080313

Molecular Formulas

Molecular Formula

  • C9-H16-Cl-N4.Cl

Molecular Formula Fragments

  • C9-H16-Cl-N4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1+;

InChIKey

UKHVLWKBNNSRRR-TYYBGVCCSA-M

Smiles

[N+]12(CN3CN(C1)CN(C2)C3)C\C=C\Cl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 2gm/kg (2000mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 455, 1966.
guinea pig LD50 oral 710mg/kg (710mg/kg)   Journal of the American College of Toxicology. Vol. 5(3), Pg. 61, 1986.
rabbit LD50 oral 78500ug/kg (78.5mg/kg)   Journal of the American College of Toxicology. Vol. 5(3), Pg. 61, 1986.
rabbit LD50 skin 565mg/kg (565mg/kg)   Journal of the American College of Toxicology. Vol. 5(3), Pg. 61, 1986.
rat LD50 oral 500mg/kg (500mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 455, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -5.920 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 4.19E-09 mm Hg 25 EST
Henry's Law Constant 1.76E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.23E-10 cm3/molecule-sec 25 EST

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