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111-49-9

111-49-9 structural image
Product Name: Hexamethyleneimine
Formula: C6H13N
Synonyms: Azepane;HMI;Homopiperidine;Perhydroazepine;Hexahydro-1H-azepine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Hexamethyleneimine appears as a colorless liquid with an ammonia-like odor. Flash point 65 °F. Toxic by ingestion. Corrosive to metals and tissue. Combustion produces toxic oxides of nitrogen.
Color/Form CLEAR COLORLESS LIQ
Odor AMMONIA-LIKE ODOR
Boiling Point 270 °F at 760 mmHg (USCG, 1999)
Melting Point -37 °C
Flash Point 99 °F (USCG, 1999)
Solubility Very soluble in ethanol and ethyl ether
Density 0.88 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Pressure 217.14 mmHg (USCG, 1999)
Henry's Law Constant Henry's Law constant = 6.14X10-6 atm cu-m/mol @ 25 °C
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Corrosivity Corrosive
Dissociation Constants 11.1
Kovats Retention Index 864 864
Chemical Classes Nitrogen Compounds -> Amines, Cyclic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H225:Flammable liquids
H300:Acute toxicity,oral
H314:Skin corrosion/irritation
H331:Acute toxicity,inhalation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 99.17 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 99.104799419 g/mol
Monoisotopic Mass 99.104799419 g/mol
Topological Polar Surface Area 12 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 37.4
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Hexamethyleneimine appears as a colorless liquid with an ammonia-like odor. Flash point 65 °F. Toxic by ingestion. Corrosive to metals and tissue. Combustion produces toxic oxides of nitrogen.