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Molecule
N,N,N′,N′-Tetramethyl-1,6-Hexanediamine
CAS: 111-18-2 · C10H24N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 111-18-2
- Molecular Formula
- C10H24N2
- Molecular Mass
- 172.32 g/mol
Identifiers
CAS Registry Number
111-18-2
SMILES
CN(C)CCCCCCN(C)C
InChI Key
TXXWBTOATXBWDR-UHFFFAOYSA-N
InChI
InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3
Names and Synonyms
- N,N,N′,N′-Tetramethyl-1,6-Hexanediamine Synonym
- U 1000 Synonym
- 1,6-Hexanediamine, N1,N1,N6,N6-tetramethyl- Synonym
- 1,6-Hexanediamine, N,N,N′,N′-tetramethyl- Synonym
- N1,N1,N6,N6-Tetramethyl-1,6-hexanediamine Synonym
- N,N,N′,N′-Tetramethyl-1,6-diaminohexane Synonym
- N,N,N′,N′-Tetramethyl-1,6-hexanediamine Synonym
- 1,6-Bis(dimethylamino)hexane Synonym
- Hexamethylenebis(dimethylamine) Synonym
- 2,9-Dimethyl-2,9-diazadecane Synonym
- N,N,N′,N′-Tetramethyl-1,6-hexamethylenediamine Synonym
- N,N,N′,N′-Tetramethylhexylenediamine Synonym
- Kaolizer 1 Synonym
- Minico TMHD Synonym
- Toyocat MR Synonym
- U 1000 (amine) Synonym
- 1,1,8,8-Tetramethyl-1,8-diazaoctane Synonym
- KL 1 Synonym
- U-CAT 1000 Synonym
- Kao. No. 1 Synonym
- N,N,N′,N′-Tetramethyl-1,6-hexandiamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.32 g/mol | CAS Common Chemistry |
| 172.316 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.8064 g/cm3 @ 14.5 °C | CAS Common Chemistry | |
| Boiling Point | 209.5 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCCCCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TXXWBTOATXBWDR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,N′,N′-Tetramethyl-1,6-hexanediamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 1.67 | RDKit |
| Molar Refractivity | 55.57600000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 172.19394876799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 172.32 g/mol; density = 0.810 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H24N2.
