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Molecule
Polyaniline
CAS: 25233-30-1 · C6H7N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 25233-30-1
- Molecular Formula
- C6H7N
- Molecular Mass
- 93.13 g/mol
Identifiers
CAS Registry Number
25233-30-1
SMILES
Nc1ccccc1
InChI Key
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
Names and Synonyms
- Polyaniline Common Name
- JGT-EB 1 Synonym
- NS 09/205W Synonym
- PANT Synonym
- XZ-BA 02 Synonym
- XZ-BAY 03 Synonym
- Benzenamine, homopolymer Synonym
- Aniline, polymers Synonym
- Aniline homopolymer Synonym
- Polyaniline Synonym
- Aniline polymer Synonym
- Polyphenyleneamine Synonym
- Polyemeraldine Synonym
- Versicon Synonym
- Ormecon Synonym
- Anirido Synonym
- Corrpassiv 4900 Synonym
- Corrpassiv 4901 Synonym
- Skippers Corrpassiv Synonym
- XICP O501 Synonym
- PASS 01 Synonym
- P 4000W Synonym
- D 1002W Synonym
- D 1500W Synonym
- Anilide SB 50 Synonym
- Kemipol Synonym
- Panipol W Synonym
- Aniline acetate homopolymer Synonym
- JGT ES 1 Synonym
- ZP-ES 1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 93.13 g/mol | CAS Common Chemistry |
| 93.12899999999999 g/mol | RDKit | |
| 93.129 g/mol | RDKit | |
| Canonical SMILES | NC=1C=CC=CC1 | CAS Common Chemistry |
| Density | 1.1-1.3 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PAYRUJLWNCNPSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 745 °C | CAS Common Chemistry |
| Name | Polyaniline | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.2688000000000001 | RDKit |
| 1.2688 | RDKit | |
| Molar Refractivity | 30.8544 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 93.057849224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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20
0 ppm
| 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 = 93.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7N.
