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N1,N2-Dimethyl-N1-[2-(Methylamino)Ethyl]-1,2-Ethanediamine
CAS: 105-84-0 | C7H19N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
105-84-0
Molecular Formula:
C7H19N3
Molecular Weight:
145.25 g/mol
Names and Synonyms:
N1,N2-Dimethyl-N1-[2-(Methylamino)Ethyl]-1,2-Ethanediamine
N,N-Bis[2-(methylamino)ethyl]methylamine
1,4,7-Trimethyldiethylenetriamine
N,N′-Dimethyl-N-[2-(methylamino)ethyl]-1,2-ethanediamine
N,N′-Dimethyl-N-[2-(methylamino)ethyl]ethylenediamine
NSC 166321
1,2-Ethanediamine, N,N′-dimethyl-N-[2-(methylamino)ethyl]-
Diethylenetriamine, 1,4,7-trimethyl-
1,4,7-Trimethyl-1,4,7-triazaheptane
N,N′,N′′-Trimethyldiethylenetriamine
N1,N2-Dimethyl-N1-[2-(methylamino)ethyl]-1,2-ethanediamine
1,2-Ethanediamine, N1,N2-dimethyl-N1-[2-(methylamino)ethyl]-
Identifiers:
SMILES:
CNCCN(C)CCNC
InChI:
InChI=1S/C7H19N3/c1-8-4-6-10(3)7-5-9-2/h8-9H,4-7H2,1-3H3
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.25 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.15789760799998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 27.299999999999997 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6429999999999985 | RDKit |
| molecular_mass | 145.25 g/mol | Legacy Database |
| cas-boiling-point | 60 °C @ Press: 1 Torr None | Legacy Database |
| cas-canonical-smile | N(C)CCN(C)CCNC None | Legacy Database |
| cas-inchi | InChI=1S/C7H19N3/c1-8-4-6-10(3)7-5-9-2/h8-9H,4-7H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ODZZIKZQNODXFS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N1,N2-Dimethyl-N1-[2-(methylamino)ethyl]-1,2-ethanediamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.35040000000002 | RDKit |
