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Molecule
Eutonyl
CAS: 306-07-0 · C11H14ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 306-07-0
- Molecular Formula
- C11H14ClN
- Molecular Mass
- 195.69 g/mol
Identifiers
CAS Registry Number
306-07-0
SMILES
C#CCN(C)Cc1ccccc1.Cl
InChI Key
BCXCABRDBBWWGY-UHFFFAOYSA-N
InChI
InChI=1S/C11H13N.ClH/c1-3-9-12(2)10-11-7-5-4-6-8-11;/h1,4-8H,9-10H2,2H3;1H
Names and Synonyms
- Eutonyl Synonym
- Pargyline Hydrochloride Synonym
- Benzenemethanamine, N-methyl-N-2-propyn-1-yl-, hydrochloride (1:1) Synonym
- Benzylamine, N-methyl-N-2-propynyl-, hydrochloride Synonym
- Benzenemethanamine, N-methyl-N-2-propynyl-, hydrochloride Synonym
- N-Benzyl-N-methyl-2-propynylamine hydrochloride Synonym
- N-Methyl-N-(2-propynyl)benzylamine hydrochloride Synonym
- Pargyline hydrochloride Synonym
- Methylbenzylpropynylamine hydrochloride Synonym
- Eutonyl-ten Synonym
- NSC 43798 Synonym
- MO 911 Synonym
- A 19120 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.69 g/mol | CAS Common Chemistry |
| 195.693 g/mol | RDKit | |
| Canonical SMILES | Cl.C#CCN(C)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H13N.ClH/c1-3-9-12(2)10-11-7-5-4-6-8-11;/h1,4-8H,9-10H2,2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=BCXCABRDBBWWGY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154-155 °C | CAS Common Chemistry |
| Name | Pargyline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.1734000000000004 | RDKit |
| 2.1734 | RDKit | |
| Molar Refractivity | 58.85700000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 195.081477128 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 = 195.69 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H14ClN.
