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N,N,N′,N′-Tetramethyl-1,6-Hexanediamine
CAS: 111-18-2 | C10H24N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-18-2
Molecular Formula:
C10H24N2
Molecular Mass:
172.32 g/mol
Names and Synonyms:
N,N,N′,N′-Tetramethyl-1,6-Hexanediamine
U 1000
1,6-Hexanediamine, N1,N1,N6,N6-tetramethyl-
1,6-Hexanediamine, N,N,N′,N′-tetramethyl-
N1,N1,N6,N6-Tetramethyl-1,6-hexanediamine
N,N,N′,N′-Tetramethyl-1,6-diaminohexane
N,N,N′,N′-Tetramethyl-1,6-hexanediamine
1,6-Bis(dimethylamino)hexane
Hexamethylenebis(dimethylamine)
2,9-Dimethyl-2,9-diazadecane
N,N,N′,N′-Tetramethyl-1,6-hexamethylenediamine
N,N,N′,N′-Tetramethylhexylenediamine
Kaolizer 1
Minico TMHD
Toyocat MR
U 1000 (amine)
1,1,8,8-Tetramethyl-1,8-diazaoctane
KL 1
U-CAT 1000
Kao. No. 1
N,N,N′,N′-Tetramethyl-1,6-hexandiamine
Identifiers:
SMILES:
CN(C)CCCCCCN(C)C
InChI:
InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3
Key Properties
Boiling Point
209.5 °C
CAS Common Chemistry
Density
0.81 g/cm³
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 | 172.32 g/mol | CAS Common Chemistry |
| 172.316 g/mol | RDKit | |
| 172.19394876799998 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.8064 g/cm3 @ Temp: 14.5 °C | CAS Common Chemistry | |
| Boiling Point | 209.5 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCCCCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TXXWBTOATXBWDR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,N′,N′-Tetramethyl-1,6-hexanediamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 1.67 | RDKit |
| Molar Refractivity | 55.57600000000004 | RDKit |
