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Molecule
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
Identifiers
CAS Registry Number
25014-41-9
SMILES
C=CC#N
InChI Key
NLHHRLWOUZZQLW-UHFFFAOYSA-N
InChI
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
Names and Synonyms
- Polyacrylonitrile Common Name
- Taftic YK 50 Synonym
- P 60C Synonym
- 2-Propenenitrile, homopolymer Synonym
- Acrylonitrile, polymers Synonym
- Acrylonitrile homopolymer Synonym
- PAN (polymer) Synonym
- Bulana Synonym
- Acrylonitrile polymer Synonym
- PAN Synonym
- PAN-A 425 Synonym
- Taftic B Synonym
- T 75 Synonym
- Solrox Synonym
- Microza KCV 3010 Synonym
- Biospal 1200S Synonym
- Biospal 1800S Synonym
- CS Ultrafilter Synonym
- PAN 200 Synonym
- DP 10000 Synonym
- PAN-CX2 Synonym
- PAN 20CX2 Synonym
- Polyacrylonitrile Synonym
- ACL 1050 Synonym
- Barex 1000S Synonym
- PAN 70 Synonym
- Romacril FR Synonym
- Taftic CB Synonym
- PAN 12CX2 Synonym
- MBR 500 Synonym
- Taftic AM Synonym
- Microsphere F 80E Synonym
- PAN 7A Synonym
- Barex 2090 Synonym
- PAN 1514 Synonym
- Taftic A 20 Synonym
- High Toron BX Synonym
- CMF-DY 010 Synonym
- CMF-DY 040 Synonym
- SEPA RG 03 Synonym
- Stork 3010 Synonym
- Stork 5010 Synonym
- PAN 17DX Synonym
- Hypan HN 85 Synonym
- Barex 4205 Synonym
- Barex 3000N Synonym
- Parex 4205 Synonym
- Barex 1000 Synonym
- ACP 1010 Synonym
- T 75 (acrylic polymer) Synonym
- XF 01 Synonym
- PAN 150SF Synonym
- Sepro PA 350 Synonym
- PAN 15SF Synonym
- Nephral 500 Synonym
- Crystal 4000 Synonym
- TV 3/150/2T Synonym
- GKSS HV-II Synonym
- GKSS HV-III Synonym
- GMT-L 6 Synonym
- ACP 0013 Synonym
- HV-II Synonym
- AN 69XS Synonym
- PAN 400 Synonym
- PAN 50 Synonym
- GMT-L 1 Synonym
- Barex 2090S Synonym
- Taftic 120 Synonym
- YK 30 Synonym
- CDFH-PAN 85K Synonym
- NPAN Synonym
- Acrilan 16 Synonym
- P 300 Synonym
- P 700 Synonym
- NH4HPAN Synonym
- P 300 (polymer) Synonym
- P 700 (PAN polymer) Synonym
- GMT-L 10 Synonym
- PAN 350 Synonym
- Taftic YK 30 Synonym
- Taftic YK 80 Synonym
- AQPAN Synonym
- Refleckle MTR-A Synonym
- Sepro PA 200 Synonym
- PAN 2345XT Synonym
- P 30T Synonym
- UFBIA 250 Synonym
- GC-UF 0503 Synonym
- SolSep UF 010104 Synonym
- XG 12 Synonym
- UF 010104 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 53.06 g/mol | CAS Common Chemistry |
| 53.06399999999999 g/mol | RDKit | |
| 53.064 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 |
| 0.696 | RDKit | |
| Molar Refractivity | 15.81 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 53.026549096 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 53.06 g/mol. Edit any field — others recompute live.
