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Triethylenemelamine
CAS: 51-18-3 | C9H12N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51-18-3
Molecular Formula:
C9H12N6
Molecular Mass:
204.24 g/mol
Names and Synonyms:
Triethylenemelamine
1,3,5-Triazine, 2,4,6-tris(1-aziridinyl)-
s-Triazine, 2,4,6-tris(1-aziridinyl)-
2,4,6-Tris(1-aziridinyl)-1,3,5-triazine
ENT 25296
Persistol Ho 1/193
Tretamine
Triaziridinyl triazine
Triethylenemelamine
2,4,6-Triethylenimino-s-triazine
2,4,6-Tris(1-aziridinyl)-s-triazine
2,4,6-Tris(ethylenimino)-s-triazine
Tris(ethyleneimino)triazine
2,4,6-Tris(ethyleneimino)-s-triazine
Trisaziridinyltriazine
TEM
Tretamin
Triamelin
NSC 9706
Persistol Hoe 1/193
SK 1133
Tem-Simes
TEM (cytostatic)
DRP 859025
M 9500
R 246
TAT
TET
Triethanomelamine
Persistol
2,4,6-Tri(aziridin-1-yl)-1,3,5-triazine
Identifiers:
SMILES:
C1CN1c1nc(N2CC2)nc(N2CC2)n1
InChI:
InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2
Key Properties
Melting Point
39 °C (decomp)
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 | 204.24 g/mol | CAS Common Chemistry |
| 204.23699999999997 g/mol | RDKit | |
| 204.11234438399998 g/mol | RDKit | |
| Canonical SMILES | N=1C(=NC(=NC1N2CC2)N3CC3)N4CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IUCJMVBFZDHPDX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 39 °C (decomp) | CAS Common Chemistry |
| Name | Triethylenemelamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 47.7 Ų | RDKit |
| LogP | -0.6683999999999999 | RDKit |
| Molar Refractivity | 56.46600000000003 | RDKit |
