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Molecule
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
Identifiers
CAS Registry Number
7223-38-3
SMILES
C#CCN(C)C
InChI Key
ILBIXZPOMJFOJP-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3
Names and Synonyms
- N,N-Dimethylpropargylamine Synonym
- 2-Propyn-1-amine, N,N-dimethyl- Synonym
- 2-Propynylamine, N,N-dimethyl- Synonym
- N,N-Dimethyl-2-propyn-1-amine Synonym
- 3-(Dimethylamino)-1-propyne Synonym
- N,N-Dimethylpropargylamine Synonym
- N,N-Dimethyl-2-propynylamine Synonym
- 3-(Dimethylamino)propyne Synonym
- 3-(N,N-Dimethylamino)propyne Synonym
- Propargyldimethylamine Synonym
- 3-(N,N-Dimethylamino)-1-propyne Synonym
- 1-Dimethylaminoprop-2-yne Synonym
- N,N-Dimethyl-2-propynamine Synonym
- N,N-Dimethyl-N-(2-propynyl)amine Synonym
- Dimethyl-prop-2-ynylamine Synonym
- N-Propargyldimethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 83.13 g/mol | CAS Common Chemistry |
| 83.13399999999999 g/mol | RDKit | |
| 83.134 g/mol | RDKit | |
| Density | 0.78 g/cm³ | CAS Common Chemistry |
| 0.7792 g/cm3 @ 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 0.18120000000000003 | RDKit |
| 0.1812 | RDKit | |
| Molar Refractivity | 27.38699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 83.073499288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
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| 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.
External Resources
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MW = 83.13 g/mol; density = 0.780 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9N.
