Back to Search
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
ZP-ES 1
JGT ES 1
Aniline acetate homopolymer
Panipol W
Kemipol
Anilide SB 50
D 1500W
D 1002W
P 4000W
PASS 01
XICP O501
Skippers Corrpassiv
Corrpassiv 4901
Corrpassiv 4900
Anirido
Ormecon
Versicon
Polyemeraldine
Polyphenyleneamine
Aniline polymer
Polyaniline
Aniline homopolymer
Aniline, polymers
Benzenamine, homopolymer
XZ-BAY 03
XZ-BA 02
PANT
NS 09/205W
JGT-EB 1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 1.2688000000000001 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.8544 | RDKit |
