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Substance Name: Hexamethylene diamine
RN: 124-09-4
UNII: ZRA5J5B2QW
InChIKey: NAQMVNRVTILPCV-UHFFFAOYSA-N

Note

  • Russian drug.

Molecular Formula

  • C6-H16-N2

Molecular Weight

  • 116.206
 

Classification Codes

Classification Code

  • Reproductive Effect

Superlist Classification Code

  • TWA (0.5 ppm)

Names and Synonyms

Name of Substance

  • 1,6-Diaminohexane
  • 1,6-Hexanediamine
  • Hexamethylene diamine

Synonyms

  • 1,6-Diamino-n-hexane
  • 1,6-Diaminohexane
  • 1,6-Hexamethylenediamine
  • 1,6-Hexanediamine
  • 1,6-Hexanediamine (solution)
  • 1,6-Hexylenediamine
  • 4-04-00-01320 (Beilstein Handbook Reference)
  • AI3-37283
  • BRN 1098307
  • CCRIS 6224
  • EC 204-679-6
  • EINECS 204-679-6
  • Hexamethylenediamine
  • Hexane, 1,6-diamino-
  • HMDA
  • HSDB 189
  • NCI-C61405
  • NSC 9257
  • UNII-ZRA5J5B2QW

Systematic Names

  • 1,6-Diaminohexane
  • 1,6-Hexanediamine
  • Hexamethylenediamine

Superlist Names

  • 1,6-Hexanediamine
  • Hexamethylenediamine
  • Hexamethylenediamine solution
  • Hexamethylenediamine, solid
  • Hexamethylenediamine, solid [UN2280] [Corrosive]
  • Hexamethylenediamine, solution
  • Hexamethylenediamine, solution [UN1783] [Corrosive]
  • UN1783
  • UN2280

Registry Numbers

CAS Registry Number

  • 124-09-4

FDA UNII

  • ZRA5J5B2QW

Related Registry Numbers

  • 2088-79-1 (mono-hydrochloride)
  • 6055-52-3 (di-hydrochloride)

System Generated Number

  • 0000124094

Structure Descriptors

InChI

1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2

InChIKey

NAQMVNRVTILPCV-UHFFFAOYSA-N

Smiles

C(CCCN)CCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 750mg/m3/10M (750mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. SEP1942,
mouse LD50 intraperitoneal 320mg/kg (320mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(11), Pg. 110, 1978.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02313,
mouse LD50 subcutaneous 1300mg/kg (1300mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 74, 1982.
rabbit LD50 skin 1110mg/kg (1110mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LC inhalation > 950mg/m3/4H (950mg/m3)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1090-0979,
rat LD50 oral 750mg/kg (750mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 41.5 deg C   EXP
Boiling Point 205 deg C   EXP
pKa Dissociation Constant 11.02 (none)   EXP
log P (octanol-water) 0.350 (none)   EST
Water Solubility 2.46E+06 mg/L 5 EXP
Henry's Law Constant 3.21E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.90E-11 cm3/molecule-sec 25 EST

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