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Bis(Dimethylamino)Methane
CAS: 51-80-9 | C5H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51-80-9
Molecular Formula:
C5H14N2
Molecular Weight:
102.18099999999998 g/mol
Names and Synonyms:
Bis(Dimethylamino)Methane
[(Dimethylamino)methyl]dimethylamine
N,N′-Tetramethylmethanediamine
NSC 54796
NSC 166169
Tetramethyldiaminomethane
Tetramethylmethanediamine
2,4-Dimethyl-2,4-diazapentane
Methylenebis(dimethylamine)
N,N′-Tetramethyldiaminomethane
Dimethyl[(dimethylamino)methyl]amine
N,N,N′,N′-Tetramethyldiaminomethane
Tetramethylmethylenediamine
Bis(dimethylamino)methane
N,N,N′,N′-Tetramethylmethylenediamine
N,N,N′,N′-Tetramethylmethanediamine
Methanediamine, N,N,N′,N′-tetramethyl-
Identifiers:
SMILES:
CN(C)CN(C)C
InChI:
InChI=1S/C5H14N2/c1-6(2)5-7(3)4/h5H2,1-4H3
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 |
|---|---|---|
| cas-inchi | InChI=1S/C5H14N2/c1-6(2)5-7(3)4/h5H2,1-4H3 None | Legacy Database |
| LogP | 0.06709999999999994 | RDKit |
| cas-canonical-smile | N(C)(C)CN(C)C None | Legacy Database |
| cas-inchi-key | InChIKey=VGIVLIHKENZQHQ-UHFFFAOYSA-N None | Legacy Database |
| molecular_mass | 102.18 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Bis(dimethylamino)methane None | Legacy Database |
| cas-boiling-point | 83 °C None | Legacy Database |
| cas-name | Bis(dimethylamino)methane None | Legacy Database |
| wikipedia-name | Bis(dimethylamino)methane None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 102.18099999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 102.11569844799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 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 | 32.240999999999985 | RDKit |
