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Pargyline Hydrochloride
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
Names and Synonyms:
Pargyline Hydrochloride
Benzenemethanamine, N-methyl-N-2-propyn-1-yl-, hydrochloride (1:1)
Benzylamine, N-methyl-N-2-propynyl-, hydrochloride
Benzenemethanamine, N-methyl-N-2-propynyl-, hydrochloride
N-Benzyl-N-methyl-2-propynylamine hydrochloride
Eutonyl
N-Methyl-N-(2-propynyl)benzylamine hydrochloride
Pargyline hydrochloride
Methylbenzylpropynylamine hydrochloride
Eutonyl-ten
NSC 43798
MO 911
A 19120
Identifiers:
SMILES:
C#CCN(C)Cc1ccccc1.Cl
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
Key Properties
Melting Point
154-155 °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 | 195.69 g/mol | CAS Common Chemistry |
| 195.693 g/mol | RDKit | |
| 195.081477128 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 |
| LogP | 2.1734000000000004 | RDKit |
| Molar Refractivity | 58.85700000000004 | RDKit |
