Back to Search
N1,N1,N3,N3-Tetramethyl-1,3-Butanediamine
CAS: 97-84-7 | C8H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-84-7
Molecular Formula:
C8H20N2
Molecular Mass:
144.26 g/mol
Names and Synonyms:
N1,N1,N3,N3-Tetramethyl-1,3-Butanediamine
1,3-Butanediamine, N1,N1,N3,N3-tetramethyl-
1,3-Butanediamine, N,N,N′,N′-tetramethyl-
N1,N1,N3,N3-Tetramethyl-1,3-butanediamine
N,N,N′,N′-Tetramethyl-1,3-butanediamine
N,N,N′,N′-Tetramethyl-1,3-diaminobutane
1,3-Bis(dimethylamino)butane
N,N,N′,N′′-Tetramethylbutane-1,3-diamine
Tetramethylbutane-1,3-diamine
N,N,N1,N1-Tetramethyl-1,3-diaminobutane
NSC 35411
1-N,1-N,3-N,3-N-Tetramethylbutane-1,3-diamine
Identifiers:
SMILES:
CC(CCN(C)C)N(C)C
InChI:
InChI=1S/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3
Key Properties
Boiling Point
55-56 °C
CAS Common Chemistry
Melting Point
126-127 °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 |
| 144.26199999999997 g/mol | RDKit | |
| 144.16264864 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.802 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 55-56 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCC(N(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AXFVIWBTKYFOCY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126-127 °C | CAS Common Chemistry |
| Name | N1,N1,N3,N3-Tetramethyl-1,3-butanediamine | 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 | 0.8881999999999999 | RDKit |
| Molar Refractivity | 46.32000000000002 | RDKit |
