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Molecule
Maprotiline Hydrochloride
CAS: 10347-81-6 · C20H24ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10347-81-6
- Molecular Formula
- C20H24ClN
- Molecular Mass
- 313.87 g/mol
Identifiers
CAS Registry Number
10347-81-6
SMILES
CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl
InChI Key
NZDMFGKECODQRY-UHFFFAOYSA-N
InChI
InChI=1S/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H
Names and Synonyms
- Maprotiline Hydrochloride Synonym
- 9,10-Ethanoanthracene-9(10H)-propanamine, N-methyl-, hydrochloride (1:1) Synonym
- 9,10-Ethanoanthracene-9(10H)-propylamine, N-methyl-, hydrochloride Synonym
- 9,10-Ethanoanthracene-9(10H)-propanamine, N-methyl-, hydrochloride Synonym
- 9,10-Dihydro-9-(3-methylaminopropyl)-9,10-ethanoanthracene hydrochloride Synonym
- Ba 34276 Synonym
- CIBA 34,276Ba Synonym
- 9-[γ-(Methylamino)propyl]-9,10-dihydro-9,10-ethanoanthracene hydrochloride Synonym
- CIBA 34276 hydrochloride Synonym
- 9,10-Ethanoanthracene-9-propylamine, 9,10-dihydro-N-methyl-, hydrochloride Synonym
- Maprotiline hydrochloride Synonym
- Ludiomil Synonym
- Ladiomil Synonym
- Deprilept Synonym
- Psymion Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 313.87 g/mol | CAS Common Chemistry |
| 313.872 g/mol | RDKit | |
| 313.869 g/mol | chempirical lib | |
| Canonical SMILES | Cl.C=1C=CC2=C(C1)C3C=4C=CC=CC4C2(CCCNC)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NZDMFGKECODQRY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230-232 °C | CAS Common Chemistry |
| Name | Maprotiline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 4.633200000000005 | RDKit |
| 4.6332 | RDKit | |
| Molar Refractivity | 95.14970000000005 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 313.159727448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 313.87 g/mol. Edit any field — others recompute live.
