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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 Mass:
140.19 g/mol
Names and Synonyms:
Hexamethylenetetramine
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane
Hexamethylenetetramine
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
Identifiers:
SMILES:
C1N2CN3CN1CN(C2)C3
InChI:
InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
Key Properties
Boiling Point
280 °C
CAS Common Chemistry
Melting Point
263 °C (sublm)
CAS Common Chemistry
Density
1.33 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.19 g/mol | CAS Common Chemistry |
| 140.106196384 g/mol | RDKit | |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.331 g/cm3 @ Temp: -5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexamethylenetetramine | CAS Common Chemistry |
| Boiling Point | 280 °C | CAS Common Chemistry |
| Canonical SMILES | N12CN3CN(C1)CN(C2)C3 | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VKYKSIONXSXAKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 263 °C (sublm) | CAS Common Chemistry |
| Name | Hexamethylenetetramine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.96 Ų | RDKit |
| LogP | -1.0197999999999992 | RDKit |
| Molar Refractivity | 36.558 | RDKit |
