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Mianserin Hydrochloride
CAS: 21535-47-7 | C18H21ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21535-47-7
Molecular Formula:
C18H21ClN2
Molecular Mass:
300.83 g/mol
Names and Synonyms:
Mianserin Hydrochloride
Dibenzo[c,f]pyrazino[1,2-a]azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, hydrochloride (1:1)
Dibenzo[c,f]pyrazino[1,2-a]azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, monohydrochloride
Mianserin hydrochloride
Tolvon
GB 94
Mianserine hydrochloride
Org GB 94
Toluon
Bolvidon
Athymil
Tetramide
Tolvin
Lantanon
Norval
NSC 292267
2-Methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine hydrochloride
Identifiers:
SMILES:
CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl
InChI:
InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
Key Properties
Melting Point
282-284 °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 | 300.83 g/mol | CAS Common Chemistry |
| 300.833 g/mol | RDKit | |
| 300.139326352 g/mol | RDKit | |
| Canonical SMILES | Cl.C=1C=CC2=C(C1)N3CCN(C)CC3C=4C=CC=CC4C2 | CAS Common Chemistry |
| InChI | InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=YNPFMWCWRVTGKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 282-284 °C | CAS Common Chemistry |
| Name | Mianserin hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 3.505700000000003 | RDKit |
| Molar Refractivity | 90.52200000000005 | RDKit |
