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N,N-Dimethylpropargylamine
CAS: 7223-38-3 | C5H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7223-38-3
Molecular Formula:
C5H9N
Molecular Mass:
83.13 g/mol
Names and Synonyms:
N,N-Dimethylpropargylamine
2-Propyn-1-amine, N,N-dimethyl-
2-Propynylamine, N,N-dimethyl-
N,N-Dimethyl-2-propyn-1-amine
3-(Dimethylamino)-1-propyne
N,N-Dimethylpropargylamine
N,N-Dimethyl-2-propynylamine
3-(Dimethylamino)propyne
3-(N,N-Dimethylamino)propyne
Propargyldimethylamine
3-(N,N-Dimethylamino)-1-propyne
1-Dimethylaminoprop-2-yne
N,N-Dimethyl-2-propynamine
N,N-Dimethyl-N-(2-propynyl)amine
Dimethyl-prop-2-ynylamine
N-Propargyldimethylamine
Identifiers:
SMILES:
C#CCN(C)C
InChI:
InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3
Key Properties
Boiling Point
82 °C
CAS Common Chemistry
Melting Point
215 °C
CAS Common Chemistry
Density
0.78 g/cm³
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 | 83.13 g/mol | CAS Common Chemistry |
| 83.13399999999999 g/mol | RDKit | |
| 83.073499288 g/mol | RDKit | |
| Density | 0.78 g/cm³ | CAS Common Chemistry |
| 0.7792 g/cm3 @ Temp: 420 °C | CAS Common Chemistry | |
| Boiling Point | 82 °C | CAS Common Chemistry |
| Canonical SMILES | C#CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ILBIXZPOMJFOJP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 215 °C | CAS Common Chemistry |
| Name | N,N-Dimethylpropargylamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 0.18120000000000003 | RDKit |
| Molar Refractivity | 27.38699999999999 | RDKit |
