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Molecule
N-Methylethylenediamine
CAS: 109-81-9 · C3H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 109-81-9
- Molecular Formula
- C3H10N2
- Molecular Mass
- 74.13 g/mol
Identifiers
CAS Registry Number
109-81-9
SMILES
CNCCN
InChI Key
KFIGICHILYTCJF-UHFFFAOYSA-N
InChI
InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.13 g/mol | CAS Common Chemistry |
| 74.127 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 |
| -0.8355 | RDKit | |
| Molar Refractivity | 22.9811 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 74.08439831999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 74.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H10N2.
