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 Mass:
93.13 g/mol
Names and Synonyms:
Polyaniline
JGT-EB 1
NS 09/205W
PANT
XZ-BA 02
XZ-BAY 03
Benzenamine, homopolymer
Aniline, polymers
Aniline homopolymer
Polyaniline
Aniline polymer
Polyphenyleneamine
Polyemeraldine
Versicon
Ormecon
Anirido
Corrpassiv 4900
Corrpassiv 4901
Skippers Corrpassiv
XICP O501
PASS 01
P 4000W
D 1002W
D 1500W
Anilide SB 50
Kemipol
Panipol W
Aniline acetate homopolymer
JGT ES 1
ZP-ES 1
Identifiers:
SMILES:
Nc1ccccc1
InChI:
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
Key Properties
Melting Point
745 °C
CAS Common Chemistry
Density
1.1-1.3 g/cm3
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 93.13 g/mol | CAS Common Chemistry |
| 93.12899999999999 g/mol | RDKit | |
| 93.057849224 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 |
| Molar Refractivity | 30.8544 | RDKit |
