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Promazine Hydrochloride
CAS: 53-60-1 | C17H21ClN2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
53-60-1
Molecular Formula:
C17H21ClN2S
Molecular Mass:
320.89 g/mol
Names and Synonyms:
Promazine Hydrochloride
10H-Phenothiazine-10-propanamine, N,N-dimethyl-, hydrochloride (1:1)
Phenothiazine, 10-[3-(dimethylamino)propyl]-, monohydrochloride
10H-Phenothiazine-10-propanamine, N,N-dimethyl-, monohydrochloride
10-(γ-Dimethylamino-n-propyl)phenothiazine hydrochloride
Promazine hydrochloride
Esparinal
Sparine
Promazine monohydrochloride
Propazin (pharmaceutical)
Propazine
Propazin
Promwill
Talofen
Liranol
Prolactyl
Prozine
Identifiers:
SMILES:
CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl
InChI:
InChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H
Key Properties
Melting Point
181 °C (decomp)
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 | 320.89 g/mol | CAS Common Chemistry |
| 320.88900000000007 g/mol | RDKit | |
| 320.111397352 g/mol | RDKit | |
| Canonical SMILES | Cl.S1C=2C=CC=CC2N(C=3C=CC=CC13)CCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=JIVSXRLRGOICGA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181 °C (decomp) | CAS Common Chemistry |
| Name | Promazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 4.662800000000004 | RDKit |
| Molar Refractivity | 94.43200000000004 | RDKit |
