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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 Mass:
74.13 g/mol
Names and Synonyms:
N-Methylethylenediamine
1,2-Ethanediamine, N1-methyl-
Ethylenediamine, N-methyl-
1,2-Ethanediamine, N-methyl-
N1-Methyl-1,2-ethanediamine
N-Methylethylenediamine
2-(Methylamino)ethylamine
(2-Aminoethyl)methylamine
N-Methyl-1,2-ethanediamine
N-Methyl-1,2-diaminoethane
1-(Methylamino)-2-aminoethane
N-Methyl-1,2-ethylenediamine
1-Methylethylenediamine
2-(Methylamino)ethanamine
Identifiers:
SMILES:
CNCCN
InChI:
InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3
Key Properties
Boiling Point
115 °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 | 74.13 g/mol | CAS Common Chemistry |
| 74.127 g/mol | RDKit | |
| 74.08439831999999 g/mol | RDKit | |
| Boiling Point | 115 °C | CAS Common Chemistry |
| Canonical SMILES | NCCNC | CAS Common Chemistry |
| InChI | InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KFIGICHILYTCJF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | -0.8354999999999999 | RDKit |
| Molar Refractivity | 22.9811 | RDKit |
