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N-Methylethylenediamine
CAS: 109-81-9 | C3H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-81-9
Molecular Formula:
C3H10N2
Molecular Weight:
74.127 g/mol
Names and Synonyms:
N-Methylethylenediamine
Synonym
1,2-Ethanediamine, N1-methyl-
Synonym
Ethylenediamine, N-methyl-
Synonym
1,2-Ethanediamine, N-methyl-
Synonym
N1-Methyl-1,2-ethanediamine
Synonym
N-Methylethylenediamine
Synonym
2-(Methylamino)ethylamine
Synonym
(2-Aminoethyl)methylamine
Synonym
N-Methyl-1,2-ethanediamine
Synonym
N-Methyl-1,2-diaminoethane
Synonym
1-(Methylamino)-2-aminoethane
Synonym
N-Methyl-1,2-ethylenediamine
Synonym
1-Methylethylenediamine
Synonym
2-(Methylamino)ethanamine
Synonym
Identifiers:
SMILES:
CNCCN
InChI:
InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 74.127 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 74.08439831999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.05 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.8354999999999999 | RDKit |
| molecular_mass | 74.13 g/mol | Legacy Database |
| cas-boiling-point | 115 °C None | Legacy Database |
| cas-canonical-smile | NCCNC None | Legacy Database |
| cas-inchi | InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=KFIGICHILYTCJF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N-Methylethylenediamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.9811 | RDKit |