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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 Mass:
53.06 g/mol
Names and Synonyms:
Polyacrylonitrile
P 60C
2-Propenenitrile, homopolymer
Acrylonitrile, polymers
Acrylonitrile homopolymer
PAN (polymer)
Bulana
Acrylonitrile polymer
PAN
PAN-A 425
Taftic B
T 75
Solrox
Microza KCV 3010
Biospal 1200S
Biospal 1800S
CS Ultrafilter
PAN 200
DP 10000
PAN-CX2
PAN 20CX2
Polyacrylonitrile
ACL 1050
Barex 1000S
PAN 70
Romacril FR
Taftic CB
PAN 12CX2
MBR 500
Taftic AM
Microsphere F 80E
PAN 7A
Barex 2090
PAN 1514
Taftic A 20
High Toron BX
CMF-DY 010
CMF-DY 040
SEPA RG 03
Stork 3010
Stork 5010
PAN 17DX
Hypan HN 85
Barex 4205
Barex 3000N
Parex 4205
Barex 1000
ACP 1010
T 75 (acrylic polymer)
XF 01
PAN 150SF
Sepro PA 350
PAN 15SF
Nephral 500
Crystal 4000
TV 3/150/2T
GKSS HV-II
GKSS HV-III
GMT-L 6
ACP 0013
HV-II
AN 69XS
PAN 400
PAN 50
GMT-L 1
Barex 2090S
Taftic 120
YK 30
CDFH-PAN 85K
NPAN
Acrilan 16
P 300
P 700
NH4HPAN
P 300 (polymer)
P 700 (PAN polymer)
GMT-L 10
PAN 350
Taftic YK 30
Taftic YK 80
Taftic YK 50
AQPAN
Refleckle MTR-A
Sepro PA 200
PAN 2345XT
P 30T
UFBIA 250
GC-UF 0503
SolSep UF 010104
XG 12
UF 010104
Identifiers:
SMILES:
C=CC#N
InChI:
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
Key Properties
Melting Point
350 °C (decomp)
CAS Common Chemistry
Density
1.14-1.17 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 | 53.06 g/mol | CAS Common Chemistry |
| 53.06399999999999 g/mol | RDKit | |
| 53.026549096 g/mol | RDKit | |
| Canonical SMILES | N#CC=C | CAS Common Chemistry |
| Density | 1.14-1.17 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NLHHRLWOUZZQLW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 350 °C (decomp) | CAS Common Chemistry |
| Name | Polyacrylonitrile | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 0.6959799999999999 | RDKit |
| Molar Refractivity | 15.81 | RDKit |
