100-97-0
Product Name:
Hexamethylenetetramine
Formula:
C6H12N4
Synonyms:
Hexamethylenetetramine;Hexamine;Methenamine;Urotropine;Hexamethylenetetramine, Hexamine, Formin, Urotropin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Hexamethylenetetramine appears as odorless white crystalline powder or colorless lustrous crystals. Sublimes in a vacuum at about 505 °F with some decomposition. Solutions are strong bases (pH of 0.2 molar aqueous solution is 8.4). (NTP, 1992) |
|---|---|
| Color/Form | Crystallizes from ethanol as colorless, hygroscopic rhombododecahedra. |
| Odor | Odorless |
| Boiling Point | Sublimes (NTP, 1992) |
| Melting Point | 536 °F (sublimes) (NTP, 1992) |
| Flash Point | 482 °F (NTP, 1992) |
| Solubility | >21 [ug/mL] (The mean of the results at pH 7.4) |
| Density | 1.35 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Density | 4.9 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 0.004 [mmHg] |
| LogP | log Kow = -2.18 at pH 7-9, 20 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | greater than 700 °F (NTP, 1992) |
| Decomposition | When heated to decomposition it emits toxic fumes of formaldehyde and /nitrogen oxides/. |
| Heat of Combustion | -13,300 Btu/lb = -7400 cal/g = -310X10+5 J/kg |
| pH | pH of 0.2 molar aqueous solution: 8.4 |
| Refractive Index | Index of refraction: 1.590 /monoclinic, isometric/ |
| Dissociation Constants | 1.4X10-9 (pK = 8.854), temperature not reported |
| Collision Cross Section | 126.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1210 |
| Other Experimental Properties | Somewhat volatile at lower temp; Specific heat: 36.4 cal/deg C |
| Chemical Classes | Nitrogen Compounds -> Amines, Aliphatic |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H228:Flammable solids H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 140.19 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 140.106196400 g/mol |
| Monoisotopic Mass | 140.106196400 g/mol |
| Topological Polar Surface Area | 13 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 84.8 |
| 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
Hexamethylenetetramine appears as odorless white crystalline powder or colorless lustrous crystals. Sublimes in a vacuum at about 505 °F with some decomposition. Solutions are strong bases (pH of 0.2 molar aqueous solution is 8.4). (NTP, 1992)