Back to Search
Benzenamine, N-[5-(Phenylamino)-2,4-Pentadien-1-Ylidene]-, Hydrochloride (1:1)
CAS: 1497-49-0 | C17H17ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1497-49-0
Molecular Formula:
C17H17ClN2
Molecular Mass:
284.79 g/mol
Names and Synonyms:
Benzenamine, N-[5-(Phenylamino)-2,4-Pentadien-1-Ylidene]-, Hydrochloride (1:1)
Benzenamine, N-[5-(phenylamino)-2,4-pentadien-1-ylidene]-, hydrochloride (1:1)
Aniline, N,N′-1,3-pentadien-1-yl-5-ylidenedi-, monohydrochloride
Benzenamine, N-[5-(phenylamino)-2,4-pentadienylidene]-, monohydrochloride
Aniline, N,N′-1,3-pentadien-1-yl-5-ylidenedi-, hydrochloride
Pentadienedianiline hydrochloride
Glutaconaldehyde dianilide hydrochloride
Glutaconaldehyde dianil chloride
Glutaconic aldehyde dianil hydrochloride
1-Phenylamino-5-phenylimino-1,3-pentadiene hydrochloride
Glutacondianil hydrochloride
Glutaconaldehydedianyl hydrochloride
Identifiers:
SMILES:
C(=CC=Nc1ccccc1)C=CNc1ccccc1.Cl
InChI:
InChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H
Key Properties
Melting Point
145-146 °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 | 284.79 g/mol | CAS Common Chemistry |
| 284.108026224 g/mol | RDKit | |
| Canonical SMILES | Cl.N(=CC=CC=CNC=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H | CAS Common Chemistry |
| InChI Key | InChIKey=VUCMMJBDNXZQDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145-146 °C | CAS Common Chemistry |
| Name | Benzenamine, N-[5-(phenylamino)-2,4-pentadien-1-ylidene]-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 4.992700000000004 | RDKit |
| Molar Refractivity | 90.18670000000003 | RDKit |
