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N1,N6-Dimethyl-1,6-Hexanediamine
CAS: 13093-04-4 | C8H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13093-04-4
Molecular Formula:
C8H20N2
Molecular Mass:
144.26 g/mol
Names and Synonyms:
N1,N6-Dimethyl-1,6-Hexanediamine
1,6-Hexanediamine, N1,N6-dimethyl-
1,6-Hexanediamine, N,N′-dimethyl-
N1,N6-Dimethyl-1,6-hexanediamine
N,N′-Dimethyl-1,6-hexanediamine
N,N′-Dimethylhexamethylenediamine
N,N′-Dimethyl-1,6-diaminohexane
1,6-Bis(methylamino)hexane
N,N′-Dimethylhexanediamine
N,N′-Dimethyl-1,6-hexamethylenediamine
Identifiers:
SMILES:
CNCCCCCCNC
InChI:
InChI=1S/C8H20N2/c1-9-7-5-3-4-6-8-10-2/h9-10H,3-8H2,1-2H3
Key Properties
Boiling Point
85-90 °C @ Press: 9 Torr
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 | 144.26 g/mol | CAS Common Chemistry |
| 144.262 g/mol | RDKit | |
| 144.16264864 g/mol | RDKit | |
| Boiling Point | 85-90 °C @ Press: 9 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 46.321400000000025 | RDKit |
