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Molecule
N1,N1,N4,N4-Tetramethyl-1,4-Butanediamine
CAS: 111-51-3 · C8H20N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 111-51-3
- Molecular Formula
- C8H20N2
- Molecular Mass
- 144.26 g/mol
Identifiers
CAS Registry Number
111-51-3
SMILES
CN(C)CCCCN(C)C
InChI Key
VEAZEPMQWHPHAG-UHFFFAOYSA-N
InChI
InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3
Names and Synonyms
- N1,N1,N4,N4-Tetramethyl-1,4-Butanediamine Systematic Name
- 1,4-Butanediamine, N1,N1,N4,N4-tetramethyl- Synonym
- 1,4-Butanediamine, N,N,N′,N′-tetramethyl- Synonym
- N1,N1,N4,N4-Tetramethyl-1,4-butanediamine Synonym
- α,δ-(Tetramethyldiamino)butane Synonym
- N,N,N′,N′-Tetramethyl-1,4-diaminobutane Synonym
- 1,4-Bis(dimethylamino)butane Synonym
- N,N,N′,N′-Tetramethyl-1,4-butanediamine Synonym
- N,N,N′,N′-Tetramethylputrescine Synonym
- Tetramethylputrescine Synonym
- 2,7-Dimethyl-2,7-diazaoctane Synonym
- N,N,N′,N′-Tetramethyltetramethylene-1,4-diamine Synonym
- N,N,N′,N′-Tetramethylbutylenediamine Synonym
- TMBDA Synonym
- TMDAB Synonym
- [4-(Dimethylamino)butyl]dimethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.26 g/mol | CAS Common Chemistry |
| 144.262 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.8041 g/cm3 @ 18.9 °C | CAS Common Chemistry | |
| Boiling Point | 168 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VEAZEPMQWHPHAG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173-174 °C | CAS Common Chemistry |
| Name | N1,N1,N4,N4-Tetramethyl-1,4-butanediamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 0.8897999999999999 | RDKit |
| 0.8898 | RDKit | |
| Molar Refractivity | 46.34200000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 144.16264864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 144.26 g/mol; density = 0.800 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H20N2.
