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Molecule
N,N′-Di-Tert-Butylethylenediamine
CAS: 4062-60-6 · C10H24N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4062-60-6
- Molecular Formula
- C10H24N2
- Molecular Mass
- 172.32 g/mol
Identifiers
CAS Registry Number
4062-60-6
SMILES
CC(C)(C)NCCNC(C)(C)C
InChI Key
KGHYGBGIWLNFAV-UHFFFAOYSA-N
InChI
InChI=1S/C10H24N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,7-8H2,1-6H3
Names and Synonyms
- N,N′-Di-Tert-Butylethylenediamine Systematic Name
- 1,2-Ethanediamine, N1,N2-bis(1,1-dimethylethyl)- Synonym
- Ethylenediamine, N,N′-di-tert-butyl- Synonym
- 1,2-Ethanediamine, N,N′-bis(1,1-dimethylethyl)- Synonym
- N1,N2-Bis(1,1-dimethylethyl)-1,2-ethanediamine Synonym
- N,N′-Di-tert-butylethylenediamine Synonym
- N,N′-Bis(tert-butyl)ethylenediamine Synonym
- 1,2-Bis(tert-butylamino)ethane Synonym
- N,N′-Di-tert-butyl-1,2-ethylenediamine Synonym
- N,N′-Di-tert-butyl-1,4-diazabutane Synonym
- N,N′-Di-tert-butyl-1,2-ethanediamine Synonym
- Amine SDA 172 Synonym
- 1,2-Ethanediamine N1,N2-bis(1,1-dimethylethyl)- 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 | |
| Boiling Point | 196-198 °C | CAS Common Chemistry |
| Canonical SMILES | N(CCNC(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H24N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,7-8H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KGHYGBGIWLNFAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 53 °C | CAS Common Chemistry |
| Name | N,N′-Di-tert-butylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 1.7625999999999995 | RDKit |
| 1.7626 | RDKit | |
| Molar Refractivity | 55.51140000000004 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 172.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H24N2.
