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Molecule
Maprotiline
CAS: 10262-69-8 · C20H23N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10262-69-8
- Molecular Formula
- C20H23N
- Molecular Mass
- 277.41 g/mol
Identifiers
CAS Registry Number
10262-69-8
SMILES
CNCCCC12CCC(c3ccccc31)c1ccccc12
InChI Key
QSLMDECMDJKHMQ-UHFFFAOYSA-N
InChI
InChI=1S/C20H23N/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
Names and Synonyms
- Maprotiline Common Name
- 9,10-Ethanoanthracene-9(10H)-propanamine, N-methyl- Synonym
- 9,10-Ethanoanthracene-9(10H)-propylamine, N-methyl- Synonym
- N-Methyl-9,10-ethanoanthracene-9(10H)-propanamine Synonym
- Maprotiline Synonym
- N-Methyl-9,10-ethanoanthracene-9(10H)-propylamine Synonym
- [3-(9,10-Ethanoanthracen-9(10H)-yl)propyl]methylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 277.41 g/mol | CAS Common Chemistry |
| 277.41100000000006 g/mol | RDKit | |
| 277.411 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC2=C(C1)C3C=4C=CC=CC4C2(CCCNC)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H23N/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 | CAS Common Chemistry |
| InChI Key | InChIKey=QSLMDECMDJKHMQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93 °C | CAS Common Chemistry |
| Name | Maprotiline | CAS Common Chemistry |
| Heavy Atom Count | 21 | 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 | 4.211400000000004 | RDKit |
| 4.2114 | RDKit | |
| 4.56 | chempirical lib | |
| Molar Refractivity | 87.90170000000006 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 277.183049736 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 = 277.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H23N.
