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Molecule
Benzenamine, N-[3-(Phenylamino)-2-Propen-1-Ylidene]-, Hydrochloride (1:?)
CAS: 50328-50-2 · C15H15ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 50328-50-2
- Molecular Formula
- C15H15ClN2
- Molecular Mass
- 258.75 g/mol
Identifiers
CAS Registry Number
50328-50-2
SMILES
C(=CNc1ccccc1)C=Nc1ccccc1.Cl
InChI Key
PBKBURVPAHHUIK-UHFFFAOYSA-N
InChI
InChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H
Names and Synonyms
- Benzenamine, N-[3-(Phenylamino)-2-Propen-1-Ylidene]-, Hydrochloride (1:?) Synonym
- Benzenamine, N-[3-(phenylamino)-2-propen-1-ylidene]-, hydrochloride (1:?) Synonym
- Benzenamine, N-[3-(phenylamino)-2-propenylidene]-, hydrochloride Synonym
- Aniline, N,N′-1-propen-1-yl-3-ylidene-, hydrochloride Synonym
- 1-Anilino-3-phenylimino-1-propene hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.75 g/mol | CAS Common Chemistry |
| 258.752 g/mol | RDKit | |
| 258.749 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N(=CC=CNC=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H | CAS Common Chemistry |
| InChI Key | InChIKey=PBKBURVPAHHUIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Benzenamine, N-[3-(phenylamino)-2-propen-1-ylidene]-, hydrochloride (1:?) | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 4.436500000000003 | RDKit |
| 4.4365 | RDKit | |
| Molar Refractivity | 81.04670000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 258.09237616 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.
External Resources
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MW = 258.75 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H15ClN2.
