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Molecule
Pararosaniline
CAS: 569-61-9 · C19H18ClN3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 569-61-9
- Molecular Formula
- C19H18ClN3
- Molecular Mass
- 323.83 g/mol
Identifiers
CAS Registry Number
569-61-9
SMILES
Cl.N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1
InChI Key
JUQPZRLQQYSMEQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H
Names and Synonyms
- Pararosaniline Synonym
- Fuchsine DR 001 Synonym
- Fuchsine SP Synonym
- Fuchsine SPC Synonym
- Parafuchsin Synonym
- Pararosaniline chloride Synonym
- Pararosaniline hydrochloride Synonym
- Parafuchsine Synonym
- Pararosaniline Synonym
- C.I. Basic Red 9 Synonym
- Basic Parafuchsine Synonym
- p-Fuchsin Synonym
- p-Rosaniline hydrochloride Synonym
- p-Fuchsine Synonym
- Orient Para Magenta Base Synonym
- Basic Red 9 Synonym
- NSC 10460 Synonym
- Benzenamine, 4,4′-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-, hydrochloride (1:1) Synonym
- Para Magenta Synonym
- C.I. Basic Red 9, monohydrochloride Synonym
- Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, monohydrochloride Synonym
- Benzenamine, 4,4′-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-, monohydrochloride Synonym
- C.I. 42500 Synonym
- Calcozine Magenta N Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.83 g/mol | CAS Common Chemistry |
| 323.82700000000006 g/mol | RDKit | |
| 323.827 g/mol | RDKit | |
| 323.824 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N=C1C=CC(C=C1)=C(C2=CC=C(N)C=C2)C3=CC=C(N)C=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=JUQPZRLQQYSMEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 268-270 °C (decomp) | CAS Common Chemistry |
| Name | Pararosaniline | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 75.89 Ų | RDKit |
| LogP | 4.2204700000000015 | RDKit |
| 4.2205 | RDKit | |
| Molar Refractivity | 100.98550000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 323.118925256 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
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MW = 323.83 g/mol. Edit any field — others recompute live.
