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N,N′-Di-Tert-Butylethylenediamine
CAS: 4062-60-6 | C10H24N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4062-60-6
Molecular Formula:
C10H24N2
Molecular Mass:
172.32 g/mol
Names and Synonyms:
N,N′-Di-Tert-Butylethylenediamine
1,2-Ethanediamine, N1,N2-bis(1,1-dimethylethyl)-
Ethylenediamine, N,N′-di-tert-butyl-
1,2-Ethanediamine, N,N′-bis(1,1-dimethylethyl)-
N1,N2-Bis(1,1-dimethylethyl)-1,2-ethanediamine
N,N′-Di-tert-butylethylenediamine
N,N′-Bis(tert-butyl)ethylenediamine
1,2-Bis(tert-butylamino)ethane
N,N′-Di-tert-butyl-1,2-ethylenediamine
N,N′-Di-tert-butyl-1,4-diazabutane
N,N′-Di-tert-butyl-1,2-ethanediamine
Amine SDA 172
1,2-Ethanediamine N1,N2-bis(1,1-dimethylethyl)-
Identifiers:
SMILES:
CC(C)(C)NCCNC(C)(C)C
InChI:
InChI=1S/C10H24N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,7-8H2,1-6H3
Key Properties
Boiling Point
196-198 °C
CAS Common Chemistry
Melting Point
53 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.32 g/mol | CAS Common Chemistry |
| 172.316 g/mol | RDKit | |
| 172.19394876799998 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 |
| Molar Refractivity | 55.51140000000004 | RDKit |
