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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 Weight:
93.12899999999999 g/mol
Names and Synonyms:
Polyaniline
Common Name
ZP-ES 1
Synonym
JGT ES 1
Synonym
Aniline acetate homopolymer
Synonym
Panipol W
Synonym
Kemipol
Synonym
Anilide SB 50
Synonym
D 1500W
Synonym
D 1002W
Synonym
P 4000W
Synonym
PASS 01
Synonym
XICP O501
Synonym
Skippers Corrpassiv
Synonym
Corrpassiv 4901
Synonym
Corrpassiv 4900
Synonym
Anirido
Synonym
Ormecon
Synonym
Versicon
Synonym
Polyemeraldine
Synonym
Polyphenyleneamine
Synonym
Aniline polymer
Synonym
Polyaniline
Synonym
Aniline homopolymer
Synonym
Aniline, polymers
Synonym
Benzenamine, homopolymer
Synonym
XZ-BAY 03
Synonym
XZ-BA 02
Synonym
PANT
Synonym
NS 09/205W
Synonym
JGT-EB 1
Synonym
Identifiers:
SMILES:
Nc1ccccc1
InChI:
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 93.12899999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 93.057849224 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.2688000000000001 | RDKit |
| molecular_mass | 93.13 g/mol | Legacy Database |
| cas-canonical-smile | NC=1C=CC=CC1 None | Legacy Database |
| cas-density | 1.1-1.3 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=PAYRUJLWNCNPSJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 745 °C None | Legacy Database |
| cas-name | Polyaniline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.8544 | RDKit |