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Molecule
Bis(2-Ethylhexyl)Amine
CAS: 106-20-7 · C16H35N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 106-20-7
- Molecular Formula
- C16H35N
- Molecular Mass
- 241.46 g/mol
Identifiers
CAS Registry Number
106-20-7
SMILES
CCCCC(CC)CNCC(CC)CCCC
InChI Key
SAIKULLUBZKPDA-UHFFFAOYSA-N
InChI
InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3
Names and Synonyms
- Bis(2-Ethylhexyl)Amine Synonym
- 1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)- Synonym
- Dihexylamine, 2,2′-diethyl- Synonym
- 2-Ethyl-N-(2-ethylhexyl)-1-hexanamine Synonym
- Di(2-ethylhexyl)amine Synonym
- Bis(2-ethylhexyl)amine Synonym
- 2,2′-Diethyldihexylamine Synonym
- NSC 5329 Synonym
- N,N-Bis(2-ethylhexyl)amine Synonym
- N,N-Di(2-ethylhexyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.46 g/mol | CAS Common Chemistry |
| 241.46299999999994 g/mol | RDKit | |
| 241.463 g/mol | RDKit | |
| Canonical SMILES | N(CC(CC)CCCC)CC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SAIKULLUBZKPDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(2-ethylhexyl)amine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 5.008800000000004 | RDKit |
| 5.0088 | RDKit | |
| Molar Refractivity | 79.48170000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 241.27695012 g/mol | RDKit |
| Boiling Point | 126 °C @ 4.0 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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 = 241.46 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H35N.
