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Molecule
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
Identifiers
CAS Registry Number
1497-49-0
SMILES
C(=CC=Nc1ccccc1)C=CNc1ccccc1.Cl
InChI Key
VUCMMJBDNXZQDJ-UHFFFAOYSA-N
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
Names and Synonyms
- Benzenamine, N-[5-(Phenylamino)-2,4-Pentadien-1-Ylidene]-, Hydrochloride (1:1) Systematic Name
- Benzenamine, N-[5-(phenylamino)-2,4-pentadien-1-ylidene]-, hydrochloride (1:1) Synonym
- Aniline, N,N′-1,3-pentadien-1-yl-5-ylidenedi-, monohydrochloride Synonym
- Benzenamine, N-[5-(phenylamino)-2,4-pentadienylidene]-, monohydrochloride Synonym
- Aniline, N,N′-1,3-pentadien-1-yl-5-ylidenedi-, hydrochloride Synonym
- Pentadienedianiline hydrochloride Synonym
- Glutaconaldehyde dianilide hydrochloride Synonym
- Glutaconaldehyde dianil chloride Synonym
- Glutaconic aldehyde dianil hydrochloride Synonym
- 1-Phenylamino-5-phenylimino-1,3-pentadiene hydrochloride Synonym
- Glutacondianil hydrochloride Synonym
- Glutaconaldehydedianyl hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.79 g/mol | CAS Common Chemistry |
| 284.787 g/mol | chempirical lib | |
| 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 |
| 4.9927 | RDKit | |
| Molar Refractivity | 90.18670000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 284.108026224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 284.79 g/mol. Edit any field — others recompute live.
