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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
Names and Synonyms:
Maprotiline
9,10-Ethanoanthracene-9(10H)-propanamine, N-methyl-
9,10-Ethanoanthracene-9(10H)-propylamine, N-methyl-
N-Methyl-9,10-ethanoanthracene-9(10H)-propanamine
Maprotiline
N-Methyl-9,10-ethanoanthracene-9(10H)-propylamine
[3-(9,10-Ethanoanthracen-9(10H)-yl)propyl]methylamine
Identifiers:
SMILES:
CNCCCC12CCC(c3ccccc31)c1ccccc12
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
Key Properties
Melting Point
93 °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 | 277.41 g/mol | CAS Common Chemistry |
| 277.41100000000006 g/mol | RDKit | |
| 277.183049736 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 |
| Molar Refractivity | 87.90170000000006 | RDKit |
