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 Weight:
144.262 g/mol
Names and Synonyms:
N1,N1,N4,N4-Tetramethyl-1,4-Butanediamine
[4-(Dimethylamino)butyl]dimethylamine
TMDAB
TMBDA
N,N,N′,N′-Tetramethylbutylenediamine
N,N,N′,N′-Tetramethyltetramethylene-1,4-diamine
2,7-Dimethyl-2,7-diazaoctane
Tetramethylputrescine
N,N,N′,N′-Tetramethylputrescine
N,N,N′,N′-Tetramethyl-1,4-butanediamine
1,4-Bis(dimethylamino)butane
N,N,N′,N′-Tetramethyl-1,4-diaminobutane
α,δ-(Tetramethyldiamino)butane
N1,N1,N4,N4-Tetramethyl-1,4-butanediamine
1,4-Butanediamine, N,N,N′,N′-tetramethyl-
1,4-Butanediamine, N1,N1,N4,N4-tetramethyl-
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 144.26 g/mol | Legacy Database |
| density | 0.80 g/cm³ | Legacy Database |
| cas-boiling-point | 168 °C None | Legacy Database |
| cas-canonical-smile | N(C)(C)CCCCN(C)C None | Legacy Database |
| cas-density | 0.8041 g/cm3 @ Temp: 18.9 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=VEAZEPMQWHPHAG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 173-174 °C None | Legacy Database |
| cas-name | N1,N1,N4,N4-Tetramethyl-1,4-butanediamine None | Legacy Database |
| LogP | 0.8897999999999999 | RDKit |
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 | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.48 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.34200000000002 | RDKit |
