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Tetramethyl-1,3-Propanediamine
CAS: 110-95-2 | C7H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-95-2
Molecular Formula:
C7H18N2
Molecular Weight:
130.23499999999999 g/mol
Names and Synonyms:
Tetramethyl-1,3-Propanediamine
1,3-Propanediamine, N1,N1,N3,N3-tetramethyl-
1,3-Propanediamine, N,N,N′,N′-tetramethyl-
N1,N1,N3,N3-Tetramethyl-1,3-propanediamine
N,N,N′,N′-Tetramethyl-1,3-diaminopropane
N,N,N′,N′-Tetramethyl-1,3-propanediamine
N,N,N′,N′-Tetramethyltrimethylenediamine
1,3-Bis(dimethylamino)propane
Bis[(dimethylamino)methyl]methane
2,6-Dimethyl-2,6-diazaheptane
1,3-(N,N,N′,N′-Tetramethyldiamino)propane
Koei 3310
Tetramethyl-1,3-propanediamine
TMPDA
Tetramethylpropylenediamine
C 1303
N,N,N′,N′-Tetramethylpropanediamine
N,N,N′,N′-Tetramethyl-1,3-propananediamine
Kaolizer 2
Kaolizer no. 2
[3-(Dimethylamino)propyl]dimethylamine
Identifiers:
SMILES:
CN(C)CCCN(C)C
InChI:
InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.23499999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.146998576 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.48 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.4996999999999998 | RDKit |
| molecular_mass | 130.24 g/mol | Legacy Database |
| density | 0.78 g/cm³ | Legacy Database |
| cas-boiling-point | 144 °C None | Legacy Database |
| cas-canonical-smile | N(C)(C)CCCN(C)C None | Legacy Database |
| cas-density | 0.7837 g/cm3 @ Temp: 18.7 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DMQSHEKGGUOYJS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 37 °C None | Legacy Database |
| cas-name | Tetramethyl-1,3-propanediamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.72500000000001 | RDKit |
