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Molecule
N,N′-Diisopropylethylenediamine
CAS: 4013-94-9 · C8H20N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4013-94-9
- Molecular Formula
- C8H20N2
- Molecular Mass
- 144.26 g/mol
Identifiers
CAS Registry Number
4013-94-9
SMILES
CC(C)NCCNC(C)C
InChI Key
MFIGJRRHGZYPDD-UHFFFAOYSA-N
InChI
InChI=1S/C8H20N2/c1-7(2)9-5-6-10-8(3)4/h7-10H,5-6H2,1-4H3
Names and Synonyms
- N,N′-Diisopropylethylenediamine Synonym
- 1,2-Ethanediamine, N1,N2-bis(1-methylethyl)- Synonym
- Ethylenediamine, N,N′-diisopropyl- Synonym
- 1,2-Ethanediamine, N,N′-bis(1-methylethyl)- Synonym
- N1,N2-Bis(1-methylethyl)-1,2-ethanediamine Synonym
- N,N′-Diisopropylethylenediamine Synonym
- N,N′-Diisopropyl-1,2-diaminoethane Synonym
- 1,2-Bis(isopropylamino)ethane Synonym
- N,N′-Diisopropyl-1,2-ethanediamine Synonym
- (Propan-2-yl)([2-[(propan-2-yl)amino]ethyl])amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.26 g/mol | CAS Common Chemistry |
| 144.26199999999997 g/mol | RDKit | |
| 144.262 g/mol | RDKit | |
| Boiling Point | 169-171 °C | CAS Common Chemistry |
| Canonical SMILES | N(CCNC(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N2/c1-7(2)9-5-6-10-8(3)4/h7-10H,5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MFIGJRRHGZYPDD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N′-Diisopropylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 0.9823999999999997 | RDKit |
| 0.9824 | RDKit | |
| Molar Refractivity | 46.277400000000014 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...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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20
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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.
External Resources
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MW = 144.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H20N2.
