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Molecule
Ethylenediamine-Ethylenimine Copolymer
CAS: 25987-06-8 · C4H13N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25987-06-8
- Molecular Formula
- C4H13N3
- Molecular Mass
- 103.17 g/mol
Identifiers
CAS Registry Number
25987-06-8
SMILES
C1CN1.NCCN
InChI Key
SFLOAOINZSFFAE-UHFFFAOYSA-N
InChI
InChI=1S/C2H8N2.C2H5N/c3-1-2-4;1-2-3-1/h1-4H2;3H,1-2H2
Names and Synonyms
- Ethylenediamine-Ethylenimine Copolymer Synonym
- 1,2-Ethanediamine, polymer with aziridine Synonym
- Ethylenimine, polymer with ethylenediamine Synonym
- Ethylenediamine, polymer with ethylenimine Synonym
- Aziridine, polymer with 1,2-ethanediamine Synonym
- Ethylenediamine-ethylenimine copolymer Synonym
- Aziridine-ethylenediamine polymer Synonym
- Ethylenediamine-ethylenimine polymer Synonym
- Aziridine-1,2-diaminoethane copolymer Synonym
- Aziridine-1,2-ethylenediamine copolymer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.17 g/mol | CAS Common Chemistry |
| 103.16900000000001 g/mol | RDKit | |
| 103.169 g/mol | RDKit | |
| Canonical SMILES | NCCN.N1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C2H8N2.C2H5N/c3-1-2-4;1-2-3-1/h1-4H2;3H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SFLOAOINZSFFAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethylenediamine-ethylenimine copolymer | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 73.98 Ų | RDKit |
| LogP | -1.506599999999999 | RDKit |
| -1.5066 | RDKit | |
| Molar Refractivity | 30.978499999999997 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 103.11094741599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 103.17 g/mol. Edit any field — others recompute live.
