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N1,N1,N4,N4-Tetramethyl-2-Butene-1,4-Diamine
CAS: 4559-79-9 | C8H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4559-79-9
Molecular Formula:
C8H18N2
Molecular Mass:
142.25 g/mol
Names and Synonyms:
N1,N1,N4,N4-Tetramethyl-2-Butene-1,4-Diamine
2-Butene-1,4-diamine, N1,N1,N4,N4-tetramethyl-
2-Butene-1,4-diamine, N,N,N′,N′-tetramethyl-
N1,N1,N4,N4-Tetramethyl-2-butene-1,4-diamine
N,N,N′,N′-Tetramethyl-2-butene-1,4-diamine
1,4-Bis(dimethylamino)-2-butene
N,N,N′,N′-Tetramethyl-1,4-diamino-2-butene
2-Butene-1,4-diamine N1,N1,N4,N4-tetramethyl-
Identifiers:
SMILES:
CN(C)CC=CCN(C)C
InChI:
InChI=1S/C8H18N2/c1-9(2)7-5-6-8-10(3)4/h5-6H,7-8H2,1-4H3
Key Properties
Boiling Point
171-172 °C @ Press: 723 Torr
CAS Common Chemistry
Melting Point
179-180 °C
CAS Common Chemistry
Density
0.82 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 | 142.25 g/mol | CAS Common Chemistry |
| 142.24599999999998 g/mol | RDKit | |
| 142.146998576 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.8198 g/cm3 @ Temp: 0 °C | CAS Common Chemistry | |
| Boiling Point | 171-172 °C @ Press: 723 Torr | CAS Common Chemistry |
| Canonical SMILES | C(=CCN(C)C)CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2/c1-9(2)7-5-6-8-10(3)4/h5-6H,7-8H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KUEDAAUECWBMLW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 179-180 °C | CAS Common Chemistry |
| Name | N1,N1,N4,N4-Tetramethyl-2-butene-1,4-diamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 0.6658 | RDKit |
| Molar Refractivity | 46.248000000000026 | RDKit |
