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Molecule
Hexamethylenetetramine
CAS: 100-97-0 · C6H12N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 100-97-0
- Molecular Formula
- C6H12N4
- Molecular Mass
- 140.19 g/mol
Identifiers
CAS Registry Number
100-97-0
SMILES
C1N2CN3CN1CN(C2)C3
InChI Key
VKYKSIONXSXAKP-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
Names and Synonyms
- Hexamethylenetetramine Common Name
- 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane Synonym
- Hexamethylenetetramine Synonym
- Aceto HMT Synonym
- Aminoform Synonym
- Ammoform Synonym
- Cystogen Synonym
- Formamine Synonym
- Hexaform Synonym
- 1,3,5,7-Tetraazaadamantane Synonym
- Uritone Synonym
- Urotropin Synonym
- Urotropine Synonym
- Hexamine (heterocycle) Synonym
- Methenamine Synonym
- Preparation AF Synonym
- Ekagom H Synonym
- Formin (heterocycle) Synonym
- Hexa-Flo-Pulver Synonym
- Hexamethylenamine Synonym
- Hexamine Synonym
- Herax UTS Synonym
- Hexasan Synonym
- Heterin Synonym
- Duirexol Synonym
- Uramin Synonym
- Antihydral Synonym
- Urodeine Synonym
- Xametrin Synonym
- Uratrine Synonym
- Methenamin Synonym
- Nocceler H Synonym
- Vulkacit H 30 Synonym
- Hexa (vulcanization accelerator) Synonym
- Hexa Synonym
- Formin Synonym
- HMT Synonym
- Methenamide Synonym
- HA Synonym
- Sanceler H Synonym
- S 4 (heterocycle) Synonym
- S 4 Synonym
- NSC 26346 Synonym
- NSC 403347 Synonym
- Thixon 715B Synonym
- Hexa B Synonym
- Sanceler HT-PO Synonym
- Nocceler H-PO Synonym
- Sanceler HT Synonym
- Heksa K Synonym
- HMTA Synonym
- Vulkacit H Synonym
- 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane (Urotropine) Synonym
- Hexamine Superfine Synonym
- EL 10 Synonym
- EL 10 (corrosion inhibitor) Synonym
- Cohedur H 30 Synonym
- Rhenogran HEXA 80 Synonym
- Rhenogran HEXA 80SBR Synonym
- HEXA 80 Synonym
- Accelerator H Synonym
- Sanceler HMT Synonym
- H 80 Synonym
- KH 8410 Synonym
- Nocrac H Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.19 g/mol | CAS Common Chemistry |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.331 g/cm3 @ -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 |
| 12.04 Ų | chempirical lib | |
| LogP | -1.0197999999999992 | RDKit |
| -1.0198 | RDKit | |
| Molar Refractivity | 36.558 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 140.106196384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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MW = 140.19 g/mol; density = 1.330 g/mL. Edit any field — others recompute live.
