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Molecule
Melamine
CAS: 108-78-1 · C3H6N6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 108-78-1
- Molecular Formula
- C3H6N6
- Molecular Mass
- 126.12 g/mol
Identifiers
CAS Registry Number
108-78-1
SMILES
N=c1[nH]c(=N)[nH]c(=N)[nH]1
InChI Key
JDSHMPZPIAZGSV-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
Names and Synonyms
- Melamine Synonym
- 1,3,5-Triazine-2,4,6-triamine Synonym
- Melamine Synonym
- s-Triazine, 4,6-diamino-1,2-dihydro-2-imino- Synonym
- Cyanuramide Synonym
- Cyanurotriamide Synonym
- Cyanurotriamine Synonym
- 2,4,6-Triamino-s-triazine Synonym
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-triimine Synonym
- Triaminotriazine Synonym
- Isomelamine Synonym
- 2,4,6-Triaminotriazine Synonym
- Teoharn Synonym
- Theoharn Synonym
- Virset 656-4 Synonym
- 2,4,6-Triamino-1,3,5-triazine Synonym
- s-Triazinetriamine Synonym
- Pluragard C 133 Synonym
- Pluragard Synonym
- Triamino-s-triazine Synonym
- DG 002 (amine) Synonym
- DG 002 Synonym
- ZS 27 Synonym
- ADK Stab ZS 27 Synonym
- Mark ZS 27 Synonym
- Yukamelamine Synonym
- Spinflam ML 94M Synonym
- 2,4,6-Triamino-1,2,3-triazine Synonym
- PC 1 Synonym
- NSC 2130 Synonym
- Flammex MEL Synonym
- Mitsui 2020A Synonym
- Melamine 2020A Synonym
- Melafine Synonym
- Mel F 40 Synonym
- Melamine HM Synonym
- Micromel 325 Synonym
- T 518 Synonym
- H 882 Synonym
- PMN 500 Synonym
- M 2659 Synonym
- Relugan XD Synonym
- SM 1013 Synonym
- D-ACE 557 Synonym
- GPH-LD Synonym
- JLS Melamine Synonym
- A 11295 Synonym
- Aflammit PMN 500 Synonym
- AF-PMN 500 Synonym
- MEL AR Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.12 g/mol | CAS Common Chemistry |
| 126.123 g/mol | RDKit | |
| Density | 1.57 g/cm³ | CAS Common Chemistry |
| 1.573 g/cm3 @ 14 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Melamine | CAS Common Chemistry |
| Canonical SMILES | N=1C(=NC(=NC1N)N)N | CAS Common Chemistry |
| InChI | InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=JDSHMPZPIAZGSV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <250 °C | CAS Common Chemistry |
| Name | Melamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 118.91999999999999 Ų | RDKit |
| 118.92 Ų | RDKit | |
| LogP | -1.8906900000000002 | RDKit |
| -1.8907 | RDKit | |
| -1.88 | chempirical lib | |
| Molar Refractivity | 27.058200000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 126.06539419199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 126.12 g/mol; density = 1.570 g/mL. Edit any field — others recompute live.
