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Molecule
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
Identifiers
CAS Registry Number
645-05-6
SMILES
CN(C)c1nc(N(C)C)nc(N(C)C)n1
InChI Key
UUVWYPNAQBNQJQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
Names and Synonyms
- Altretamine Synonym
- 1,3,5-Triazine-2,4,6-triamine, N2,N2,N4,N4,N6,N6-hexamethyl- Synonym
- Melamine, hexamethyl- Synonym
- 1,3,5-Triazine-2,4,6-triamine, N,N,N′,N′,N′′,N′′-hexamethyl- Synonym
- N2,N2,N4,N4,N6,N6-Hexamethyl-1,3,5-triazine-2,4,6-triamine Synonym
- NSC 13875 Synonym
- ENT 50852 Synonym
- Hemel Synonym
- Hexamethylmelamine Synonym
- HMM Synonym
- 2,4,6-Tris(dimethylamino)-s-triazine Synonym
- 2,4,6-Tris(dimethylamino)-1,3,5-triazine Synonym
- Altretamine Synonym
- 1,3,5-Tris(dimethylamino)-s-triazine Synonym
- Hexalen Synonym
- Hexylen Synonym
- 2-N,2-N,4-N,4-N,6-N,6-N-Hexamethyl-1,3,5-triazine-2,4,6-triamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.29 g/mol | CAS Common Chemistry |
| 210.285 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 |
| 48.39 Ų | RDKit | |
| 46.11 Ų | chempirical lib | |
| LogP | 0.0696000000000001 | RDKit |
| 0.0696 | RDKit | |
| Molar Refractivity | 62.80800000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 210.15929457599998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 210.29 g/mol. Edit any field — others recompute live.
