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Hexamethylenetetramine
CAS: 100-97-0 | C6H12N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
100-97-0
Molecular Formula:
C6H12N4
Molecular Weight:
140.19 g/mol
Names and Synonyms:
Hexamethylenetetramine
Common Name
KH 8410
Synonym
Rhenogran HEXA 80SBR
Synonym
EL 10 (corrosion inhibitor)
Synonym
EL 10
Synonym
HMTA
Synonym
Sanceler H
Synonym
Hexasan
Synonym
Herax UTS
Synonym
Hexamine
Synonym
Methenamine
Synonym
Cystogen
Synonym
Aceto HMT
Synonym
Nocrac H
Synonym
HEXA 80
Synonym
Vulkacit H
Synonym
Heksa K
Synonym
Sanceler HT
Synonym
Hexa B
Synonym
Thixon 715B
Synonym
NSC 26346
Synonym
Methenamide
Synonym
HMT
Synonym
Formin
Synonym
Nocceler H
Synonym
Xametrin
Synonym
Antihydral
Synonym
Heterin
Synonym
Hexamethylenamine
Synonym
Hexa-Flo-Pulver
Synonym
Ekagom H
Synonym
Ammoform
Synonym
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane
Synonym
Cohedur H 30
Synonym
Nocceler H-PO
Synonym
Sanceler HT-PO
Synonym
NSC 403347
Synonym
HA
Synonym
Hexa (vulcanization accelerator)
Synonym
Uratrine
Synonym
Uramin
Synonym
Preparation AF
Synonym
Urotropin
Synonym
Uritone
Synonym
Formamine
Synonym
H 80
Synonym
Sanceler HMT
Synonym
Accelerator H
Synonym
Rhenogran HEXA 80
Synonym
Hexamine Superfine
Synonym
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane (Urotropine)
Synonym
S 4
Synonym
S 4 (heterocycle)
Synonym
Hexa
Synonym
Vulkacit H 30
Synonym
Methenamin
Synonym
Urodeine
Synonym
Duirexol
Synonym
Formin (heterocycle)
Synonym
Hexamine (heterocycle)
Synonym
Urotropine
Synonym
1,3,5,7-Tetraazaadamantane
Synonym
Hexaform
Synonym
Aminoform
Synonym
Hexamethylenetetramine
Synonym
Identifiers:
SMILES:
C1N2CN3CN1CN(C2)C3
InChI:
InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 140.19 g/mol | Legacy Database |
| density | 1.33 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Hexamethylenetetramine None | Legacy Database |
| cas-boiling-point | 280 °C None | Legacy Database |
| cas-canonical-smile | N12CN3CN(C1)CN(C2)C3 None | Legacy Database |
| cas-density | 1.331 g/cm3 @ Temp: -5 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=VKYKSIONXSXAKP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 263 °C (sublm) None | Legacy Database |
| cas-name | Hexamethylenetetramine None | Legacy Database |
| wikipedia-name | Hexamethylenetetramine None | Legacy Database |
| LogP | -1.0197999999999992 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.19 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.106196384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.96 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.558 | RDKit |