Back to Search
Benactyzine Hydrochloride
CAS: 57-37-4 | C20H26ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57-37-4
Molecular Formula:
C20H26ClNO3
Molecular Weight:
363.88500000000005 g/mol
Names and Synonyms:
Benactyzine Hydrochloride
Synonym
Benzeneacetic acid, α-hydroxy-α-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Synonym
Benzilic acid, 2-(diethylamino)ethyl ester hydrochloride
Synonym
Benzeneacetic acid, α-hydroxy-α-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
Synonym
Ethanol, 2-diethylamino-, benzilate-HCl
Synonym
AY 5406-1
Synonym
Amisyl
Synonym
Amizyl
Synonym
Amyzyl
Synonym
Benactyzine hydrochloride
Synonym
Cafron
Synonym
Cevanol
Synonym
β-Diethylaminoethyl benzilate hydrochloride
Synonym
2-Diethylaminoethyl benzilate hydrochloride
Synonym
2-Diethylaminoethyl diphenylglycolate hydrochloride
Synonym
Lucidil
Synonym
Nervacton
Synonym
Nutinal
Synonym
Parasan
Synonym
Parpon
Synonym
Phobex
Synonym
Suavitil
Synonym
Amizil
Synonym
Benactyzine chloride
Synonym
Aktozin
Synonym
Amitakon
Synonym
Arkadin
Synonym
Benaktin
Synonym
Valladon
Synonym
Katron
Synonym
Leucidil
Synonym
Neuraktil
Synonym
Neurobenzil
Synonym
Nervatil
Synonym
Parazan
Synonym
Prokalm
Synonym
Stoikon
Synonym
Tranquillin
Synonym
Fobex
Synonym
Cedad
Synonym
AY 5406
Synonym
Destendo
Synonym
Valladan
Synonym
Procalm
Synonym
Win 5606
Synonym
Ibiotyzil
Synonym
Arcadine
Synonym
Neuroleptone
Synonym
Actozine
Synonym
Identifiers:
SMILES:
CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.Cl
InChI:
InChI=1S/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 363.89 g/mol | Legacy Database |
| cas-canonical-smile | Cl.O=C(OCCN(CC)CC)C(O)(C=1C=CC=CC1)C=2C=CC=CC2 None | Legacy Database |
| cas-inchi | InChI=1S/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=ZCEHOOLYWQBGQO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 177-178 °C None | Legacy Database |
| cas-name | Benactyzine hydrochloride None | Legacy Database |
| LogP | 3.2293000000000025 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 363.88500000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 363.160121372 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 8 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.769999999999996 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 101.87780000000004 | RDKit |