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Molecule
N1,N6-Dimethyl-1,6-Hexanediamine
CAS: 13093-04-4 · C8H20N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13093-04-4
- Molecular Formula
- C8H20N2
- Molecular Mass
- 144.26 g/mol
Identifiers
CAS Registry Number
13093-04-4
SMILES
CNCCCCCCNC
InChI Key
MDKQJOKKKZNQDG-UHFFFAOYSA-N
InChI
InChI=1S/C8H20N2/c1-9-7-5-3-4-6-8-10-2/h9-10H,3-8H2,1-2H3
Names and Synonyms
- N1,N6-Dimethyl-1,6-Hexanediamine Systematic Name
- 1,6-Hexanediamine, N1,N6-dimethyl- Synonym
- 1,6-Hexanediamine, N,N′-dimethyl- Synonym
- N1,N6-Dimethyl-1,6-hexanediamine Synonym
- N,N′-Dimethyl-1,6-hexanediamine Synonym
- N,N′-Dimethylhexamethylenediamine Synonym
- N,N′-Dimethyl-1,6-diaminohexane Synonym
- 1,6-Bis(methylamino)hexane Synonym
- N,N′-Dimethylhexanediamine Synonym
- N,N′-Dimethyl-1,6-hexamethylenediamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.26 g/mol | CAS Common Chemistry |
| 144.262 g/mol | RDKit | |
| Canonical SMILES | N(C)CCCCCCNC | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N2/c1-9-7-5-3-4-6-8-10-2/h9-10H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MDKQJOKKKZNQDG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N1,N6-Dimethyl-1,6-hexanediamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 0.9855999999999998 | RDKit |
| 0.9856 | RDKit | |
| Molar Refractivity | 46.321400000000025 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 144.16264864 g/mol | RDKit |
| Boiling Point | 85-90 °C @ 9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 144.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H20N2.
