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Altretamine
CAS: 645-05-6 | C9H18N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
645-05-6
Molecular Formula:
C9H18N6
Molecular Mass:
210.29 g/mol
Names and Synonyms:
Altretamine
1,3,5-Triazine-2,4,6-triamine, N2,N2,N4,N4,N6,N6-hexamethyl-
Melamine, hexamethyl-
1,3,5-Triazine-2,4,6-triamine, N,N,N′,N′,N′′,N′′-hexamethyl-
N2,N2,N4,N4,N6,N6-Hexamethyl-1,3,5-triazine-2,4,6-triamine
NSC 13875
ENT 50852
Hemel
Hexamethylmelamine
HMM
2,4,6-Tris(dimethylamino)-s-triazine
2,4,6-Tris(dimethylamino)-1,3,5-triazine
Altretamine
1,3,5-Tris(dimethylamino)-s-triazine
Hexalen
Hexylen
2-N,2-N,4-N,4-N,6-N,6-N-Hexamethyl-1,3,5-triazine-2,4,6-triamine
Identifiers:
SMILES:
CN(C)c1nc(N(C)C)nc(N(C)C)n1
InChI:
InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
Key Properties
Melting Point
172-174 °C
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 | 210.29 g/mol | CAS Common Chemistry |
| 210.285 g/mol | RDKit | |
| 210.15929457599998 g/mol | RDKit | |
| Canonical SMILES | N=1C(=NC(=NC1N(C)C)N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UUVWYPNAQBNQJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172-174 °C | CAS Common Chemistry |
| Name | Altretamine | 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 | 48.39000000000001 Ų | RDKit |
| LogP | 0.0696000000000001 | RDKit |
| Molar Refractivity | 62.80800000000004 | RDKit |
