Hexamethylenetetramine

C6H12N4CAS 100-97-0140.19 g/mol

Open in Covalent MOL file
NNNN
Tertiary amine

Properties

Molecular formula
C6H12N4
Molar mass
140.19 g/mol
Exact mass
140.1062 Da
Density
1.331 g/mL (at −5 °C)
Melting point
263 °C (sublimes)
Boiling point
280 °C
pKa
4.89 (25 °C), 8.854
Flash point
250 °C (closed cup)
Water solubility
302 g/L (25 °C)
logP
-1.02Crippen estimate
Polar surface area
13.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 612-101-00-2), via PubChem.

Precautionary statements

P210, P240, P241, P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P370+P378, P501

Identifiers

CAS number
100-97-0
SMILES
C1N2CN3CN1CN(C2)C3
InChIKey
VKYKSIONXSXAKP-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

63 names · show all
  • 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane
  • Aceto HMT
  • Aminoform
  • Ammoform
  • Cystogen
  • Formamine
  • Hexaform
  • 1,3,5,7-Tetraazaadamantane
  • Uritone
  • Urotropin
  • Urotropine
  • Hexamine (heterocycle)
  • Methenamine
  • Preparation AF
  • Ekagom H
  • Formin (heterocycle)
  • Hexa-flo-pulver
  • Hexamethylenamine
  • Hexamine
  • Herax UTS
  • Hexasan
  • Heterin
  • Duirexol
  • Uramin
  • Antihydral
  • Urodeine
  • Xametrin
  • Uratrine
  • Methenamin
  • Nocceler H
  • Vulkacit H 30
  • Hexa (vulcanization accelerator)
  • Hexa
  • Formin
  • HMT
  • Methenamide
  • HA
  • Sanceler H
  • S 4 (Heterocycle)
  • S 4
  • NSC 26346
  • NSC 403347
  • Thixon 715B
  • Hexa B
  • Sanceler HT-PO
  • Nocceler H-PO
  • Sanceler HT
  • Heksa K
  • HMTA
  • Vulkacit H
  • 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane (Urotropine)
  • Hexamine superfine
  • EL 10
  • EL 10 (corrosion inhibitor)
  • Cohedur H 30
  • Rhenogran HEXA 80
  • Rhenogran HEXA 80SBR
  • HEXA 80
  • Accelerator H
  • Sanceler HMT
  • H 80
  • KH 8410
  • Nocrac H

Work with Hexamethylenetetramine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methenamine mandelate587-23-5Salt Methenamine hippurate5714-73-8Salt

Similar compounds

Dinitrosopentamethylenetetramine101-25-740 % similar Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine4719-04-436 % similar Dimorpholinomethane5625-90-136 % similar Dabco280-57-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia