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Polyacrylonitrile
CAS: 25014-41-9 | C3H3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25014-41-9
Molecular Formula:
C3H3N
Molecular Weight:
53.06399999999999 g/mol
Names and Synonyms:
Polyacrylonitrile
PAN 50
UF 010104
XG 12
SolSep UF 010104
GC-UF 0503
UFBIA 250
P 30T
PAN 2345XT
Sepro PA 200
Refleckle MTR-A
AQPAN
Taftic YK 50
Taftic YK 80
Taftic YK 30
PAN 350
GMT-L 10
P 700 (PAN polymer)
P 300 (polymer)
NH4HPAN
P 700
P 300
Acrilan 16
NPAN
CDFH-PAN 85K
YK 30
Taftic 120
Barex 2090S
GMT-L 1
PAN 400
AN 69XS
HV-II
ACP 0013
GMT-L 6
GKSS HV-III
GKSS HV-II
TV 3/150/2T
Crystal 4000
Nephral 500
PAN 15SF
Sepro PA 350
PAN 150SF
XF 01
T 75 (acrylic polymer)
ACP 1010
Barex 1000
Parex 4205
Barex 3000N
Barex 4205
Hypan HN 85
PAN 17DX
Stork 5010
Stork 3010
SEPA RG 03
CMF-DY 040
CMF-DY 010
High Toron BX
Taftic A 20
PAN 1514
Barex 2090
PAN 7A
Microsphere F 80E
Taftic AM
MBR 500
PAN 12CX2
Taftic CB
Romacril FR
PAN 70
Barex 1000S
ACL 1050
Polyacrylonitrile
PAN 20CX2
PAN-CX2
DP 10000
PAN 200
CS Ultrafilter
Biospal 1800S
Biospal 1200S
Microza KCV 3010
Solrox
T 75
Taftic B
PAN-A 425
PAN
Acrylonitrile polymer
Bulana
PAN (polymer)
Acrylonitrile homopolymer
Acrylonitrile, polymers
2-Propenenitrile, homopolymer
P 60C
Identifiers:
SMILES:
C=CC#N
InChI:
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
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 |
|---|---|---|
| cas-inchi | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=NLHHRLWOUZZQLW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 350 °C (decomp) None | Legacy Database |
| cas-name | Polyacrylonitrile None | Legacy Database |
| molecular_mass | 53.06 g/mol | Legacy Database |
| cas-canonical-smile | N#CC=C None | Legacy Database |
| cas-density | 1.14-1.17 g/cm3 None | Legacy Database |
| LogP | 0.6959799999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 53.06399999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 53.026549096 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.79 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.81 | RDKit |
