Back to Search
N1,N1,N4,N4-Tetramethyl-1,4-Butanediamine
CAS: 111-51-3 | C8H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-51-3
Molecular Formula:
C8H20N2
Molecular Mass:
144.26 g/mol
Names and Synonyms:
N1,N1,N4,N4-Tetramethyl-1,4-Butanediamine
1,4-Butanediamine, N1,N1,N4,N4-tetramethyl-
1,4-Butanediamine, N,N,N′,N′-tetramethyl-
N1,N1,N4,N4-Tetramethyl-1,4-butanediamine
α,δ-(Tetramethyldiamino)butane
N,N,N′,N′-Tetramethyl-1,4-diaminobutane
1,4-Bis(dimethylamino)butane
N,N,N′,N′-Tetramethyl-1,4-butanediamine
N,N,N′,N′-Tetramethylputrescine
Tetramethylputrescine
2,7-Dimethyl-2,7-diazaoctane
N,N,N′,N′-Tetramethyltetramethylene-1,4-diamine
N,N,N′,N′-Tetramethylbutylenediamine
TMBDA
TMDAB
[4-(Dimethylamino)butyl]dimethylamine
Identifiers:
SMILES:
CN(C)CCCCN(C)C
InChI:
InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3
Key Properties
Boiling Point
168 °C
CAS Common Chemistry
Melting Point
173-174 °C
CAS Common Chemistry
Density
0.80 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 | 144.26 g/mol | CAS Common Chemistry |
| 144.262 g/mol | RDKit | |
| 144.16264864 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.8041 g/cm3 @ Temp: 18.9 °C | CAS Common Chemistry | |
| Boiling Point | 168 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VEAZEPMQWHPHAG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173-174 °C | CAS Common Chemistry |
| Name | N1,N1,N4,N4-Tetramethyl-1,4-butanediamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 0.8897999999999999 | RDKit |
| Molar Refractivity | 46.34200000000002 | RDKit |
