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Substance Name: Hexamethyleneimine
RN: 111-49-9
UNII: CZD076G73R
InChIKey: ZSIQJIWKELUFRJ-UHFFFAOYSA-N

Molecular Formula

  • C6-H13-N

Molecular Weight

  • 99.1757
 
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Names and Synonyms

Name of Substance

  • Hexahydroazepine
  • Hexamethyleneimine

Synonyms

  • 1-Azacycloheptane
  • 1H-Azepine, hexahydro-
  • 5-20-04-00003 (Beilstein Handbook Reference)
  • AI3-26610
  • Azacycloheptane
  • Azepine, hexahydro-
  • BRN 0001084
  • CCRIS 8886
  • CP 18407
  • Cycloheptane, 1-aza-
  • Cyclohexamethylenimine
  • EC 203-875-9
  • EINECS 203-875-9
  • G 0
  • Hexahydro-1H-azepine
  • Hexahydroazepine
  • Hexamethylene imine
  • Hexamethyleneimine
  • Hexamethylenimine
  • HMI
  • Homopiperidine
  • HSDB 562
  • NSC 16236
  • Perhydroazepine
  • UNII-CZD076G73R

Systematic Names

  • 1H-Azepine, hexahydro-
  • Perhydroazepine

Superlist Names

  • 1H-Azepine, hexahydro-
  • Hexamethyleneimine
  • Hexamethyleneimine [UN2493] [Flammable liquid]
  • Hexamethylenimine
  • UN2493

Registry Numbers

CAS Registry Number

  • 111-49-9

FDA UNII

  • CZD076G73R

System Generated Number

  • 0000111499

Structure Descriptors

InChI

1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2

InChIKey

ZSIQJIWKELUFRJ-UHFFFAOYSA-N

Smiles

C1CCCNCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 10800mg/m3/2H (10800mg/m3)   "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 LD subcutaneous > 50mg/kg (50mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 25, 1968.
rabbit LDLo skin 1260mg/kg (1260mg/kg)   National Technical Information Service. Vol. OTS0539976,
rat LCLo inhalation 33300mg/m3/30 (33300mg/m3) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI National Technical Information Service. Vol. OTS0534842,
rat LD50 oral 20700ug/kg (20.7mg/kg) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI

BEHAVIORAL: FOOD INTAKE (ANIMAL)

LIVER: OTHER CHANGES
National Technical Information Service. Vol. OTS0534842,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 138 deg C   EXP
pKa Dissociation Constant 11.07 (none) 25 EXP
log P (octanol-water) 1.680 (none)   EST
Water Solubility 3.19E+04 mg/L 25 EXP
Vapor Pressure 8.09 mm Hg 25 EXP
Henry's Law Constant 6.14E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 9.00E-11 cm3/molecule-sec 25 EST

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