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Molecule
Tetramethyl-1,3-Propanediamine
CAS: 110-95-2 · C7H18N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-95-2
- Molecular Formula
- C7H18N2
- Molecular Mass
- 130.24 g/mol
Identifiers
CAS Registry Number
110-95-2
SMILES
CN(C)CCCN(C)C
InChI Key
DMQSHEKGGUOYJS-UHFFFAOYSA-N
InChI
InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3
Names and Synonyms
- Tetramethyl-1,3-Propanediamine Synonym
- 1,3-Propanediamine, N1,N1,N3,N3-tetramethyl- Synonym
- 1,3-Propanediamine, N,N,N′,N′-tetramethyl- Synonym
- N1,N1,N3,N3-Tetramethyl-1,3-propanediamine Synonym
- N,N,N′,N′-Tetramethyl-1,3-diaminopropane Synonym
- N,N,N′,N′-Tetramethyl-1,3-propanediamine Synonym
- N,N,N′,N′-Tetramethyltrimethylenediamine Synonym
- 1,3-Bis(dimethylamino)propane Synonym
- Bis[(dimethylamino)methyl]methane Synonym
- 2,6-Dimethyl-2,6-diazaheptane Synonym
- 1,3-(N,N,N′,N′-Tetramethyldiamino)propane Synonym
- Koei 3310 Synonym
- Tetramethyl-1,3-propanediamine Synonym
- TMPDA Synonym
- Tetramethylpropylenediamine Synonym
- C 1303 Synonym
- N,N,N′,N′-Tetramethylpropanediamine Synonym
- N,N,N′,N′-Tetramethyl-1,3-propananediamine Synonym
- Kaolizer 2 Synonym
- Kaolizer no. 2 Synonym
- [3-(Dimethylamino)propyl]dimethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.24 g/mol | CAS Common Chemistry |
| 130.23499999999999 g/mol | RDKit | |
| 130.235 g/mol | RDKit | |
| Density | 0.78 g/cm³ | CAS Common Chemistry |
| 0.7837 g/cm3 @ 18.7 °C | CAS Common Chemistry | |
| Boiling Point | 144 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DMQSHEKGGUOYJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37 °C | CAS Common Chemistry |
| Name | Tetramethyl-1,3-propanediamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 |
| 6.02 Ų | chempirical lib | |
| LogP | 0.4996999999999998 | RDKit |
| 0.4997 | RDKit | |
| Molar Refractivity | 41.72500000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 130.146998576 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 130.24 g/mol; density = 0.780 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H18N2.
