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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 Weight:
144.262 g/mol
Names and Synonyms:
N1,N6-Dimethyl-1,6-Hexanediamine
N,N′-Dimethyl-1,6-hexamethylenediamine
N,N′-Dimethylhexanediamine
1,6-Bis(methylamino)hexane
N,N′-Dimethyl-1,6-diaminohexane
N,N′-Dimethylhexamethylenediamine
N,N′-Dimethyl-1,6-hexanediamine
N1,N6-Dimethyl-1,6-hexanediamine
1,6-Hexanediamine, N,N′-dimethyl-
1,6-Hexanediamine, N1,N6-dimethyl-
Identifiers:
SMILES:
CNCCCCCCNC
InChI:
InChI=1S/C8H20N2/c1-9-7-5-3-4-6-8-10-2/h9-10H,3-8H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.262 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.16264864 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 24.06 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9855999999999998 | RDKit |
| molecular_mass | 144.26 g/mol | Legacy Database |
| cas-boiling-point | 85-90 °C @ Press: 9 Torr None | Legacy Database |
| cas-canonical-smile | N(C)CCCCCCNC None | Legacy Database |
| cas-inchi | InChI=1S/C8H20N2/c1-9-7-5-3-4-6-8-10-2/h9-10H,3-8H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MDKQJOKKKZNQDG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N1,N6-Dimethyl-1,6-hexanediamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.321400000000025 | RDKit |
