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Molecule
Solvent Yellow 34
CAS: 492-80-8 · C17H21N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 492-80-8
- Molecular Formula
- C17H21N3
- Molecular Mass
- 267.38 g/mol
Identifiers
CAS Registry Number
492-80-8
SMILES
CN(C)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1
InChI Key
JPIYZTWMUGTEHX-UHFFFAOYSA-N
InChI
InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3
Names and Synonyms
- Solvent Yellow 34 Common Name
- Auramine SS Synonym
- Benzenamine, 4,4′-carbonimidoylbis[N,N-dimethyl- Synonym
- C.I. Solvent Yellow 34 Synonym
- 4,4′-Carbonimidoylbis[N,N-dimethylbenzenamine] Synonym
- C.I. 41000B Synonym
- Auramine N Base Synonym
- Auramine O Base Synonym
- Brilliant Oil Yellow Synonym
- 4,4′-Dimethylaminobenzophenonimide Synonym
- Waxoline Yellow O Synonym
- Auramine base Synonym
- Auramine OAF Synonym
- Baso Yellow 124 Synonym
- Orient Oil Yellow 101 Synonym
- 4,4′-(Imidocarbonyl)bis(N,N-dimethylaniline) Synonym
- Solvent Yellow 34 Synonym
- Auramine S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.38 g/mol | CAS Common Chemistry |
| 267.376 g/mol | RDKit | |
| Boiling Point | 330.5 °C | CAS Common Chemistry |
| Canonical SMILES | N=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JPIYZTWMUGTEHX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136 °C | CAS Common Chemistry |
| Name | Solvent Yellow 34 | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 30.330000000000005 Ų | RDKit |
| 30.33 Ų | RDKit | |
| LogP | 3.234770000000002 | RDKit |
| 3.2348 | RDKit | |
| Molar Refractivity | 87.46870000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2353 | RDKit |
| 0.24 | chempirical lib | |
| Exact Mass | 267.173547672 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 267.38 g/mol. Edit any field — others recompute live.
