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Melamine
CAS: 108-78-1 | C3H6N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-78-1
Molecular Formula:
C3H6N6
Molecular Weight:
126.123 g/mol
Names and Synonyms:
Melamine
1,3,5-Triazine-2,4,6-triamine
Melamine
s-Triazine, 4,6-diamino-1,2-dihydro-2-imino-
Cyanuramide
Cyanurotriamide
Cyanurotriamine
2,4,6-Triamino-s-triazine
1,3,5-Triazine-2,4,6(1H,3H,5H)-triimine
Triaminotriazine
Isomelamine
2,4,6-Triaminotriazine
Teoharn
Theoharn
Virset 656-4
2,4,6-Triamino-1,3,5-triazine
s-Triazinetriamine
Pluragard C 133
Pluragard
Triamino-s-triazine
DG 002 (amine)
DG 002
ZS 27
ADK Stab ZS 27
Mark ZS 27
Yukamelamine
Spinflam ML 94M
2,4,6-Triamino-1,2,3-triazine
PC 1
NSC 2130
Flammex MEL
Mitsui 2020A
Melamine 2020A
Melafine
Mel F 40
Melamine HM
Micromel 325
T 518
H 882
PMN 500
M 2659
Relugan XD
SM 1013
D-ACE 557
GPH-LD
JLS Melamine
A 11295
Aflammit PMN 500
AF-PMN 500
MEL AR
Identifiers:
SMILES:
N=c1[nH]c(=N)[nH]c(=N)[nH]1
InChI:
InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
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 | 126.123 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 126.06539419199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 118.91999999999999 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.8906900000000002 | RDKit |
| molecular_mass | 126.12 g/mol | Legacy Database |
| density | 1.57 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Melamine None | Legacy Database |
| cas-canonical-smile | N=1C(=NC(=NC1N)N)N None | Legacy Database |
| cas-density | 1.573 g/cm3 @ Temp: 14 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9) None | Legacy Database |
| cas-inchi-key | InChIKey=JDSHMPZPIAZGSV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <250 °C None | Legacy Database |
| cas-name | Melamine None | Legacy Database |
| wikipedia-name | Melamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.058200000000014 | RDKit |
