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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
KH 8410
Rhenogran HEXA 80SBR
EL 10 (corrosion inhibitor)
EL 10
HMTA
Sanceler H
Hexasan
Herax UTS
Hexamine
Methenamine
Cystogen
Aceto HMT
Nocrac H
HEXA 80
Vulkacit H
Heksa K
Sanceler HT
Hexa B
Thixon 715B
NSC 26346
Methenamide
HMT
Formin
Nocceler H
Xametrin
Antihydral
Heterin
Hexamethylenamine
Hexa-Flo-Pulver
Ekagom H
Ammoform
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane
Cohedur H 30
Nocceler H-PO
Sanceler HT-PO
NSC 403347
HA
Hexa (vulcanization accelerator)
Uratrine
Uramin
Preparation AF
Urotropin
Uritone
Formamine
H 80
Sanceler HMT
Accelerator H
Rhenogran HEXA 80
Hexamine Superfine
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane (Urotropine)
S 4
S 4 (heterocycle)
Hexa
Vulkacit H 30
Methenamin
Urodeine
Duirexol
Formin (heterocycle)
Hexamine (heterocycle)
Urotropine
1,3,5,7-Tetraazaadamantane
Hexaform
Aminoform
Hexamethylenetetramine
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.0197999999999992 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.558 | RDKit |
