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Molecule
1,6-Bismaleimidohexane
CAS: 4856-87-5 · C14H16N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4856-87-5
- Molecular Formula
- C14H16N2O4
- Molecular Mass
- 276.29 g/mol
Identifiers
CAS Registry Number
4856-87-5
SMILES
O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O
InChI Key
PYVHLZLQVWXBDZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h5-8H,1-4,9-10H2
Names and Synonyms
- 1,6-Bismaleimidohexane Synonym
- 1H-Pyrrole-2,5-dione, 1,1′-(1,6-hexanediyl)bis- Synonym
- Maleimide, N,N′-hexamethylenedi- Synonym
- 1,1′-(1,6-Hexanediyl)bis[1H-pyrrole-2,5-dione] Synonym
- N,N′-Hexamethylenedimaleimide Synonym
- 1,6-Dimaleimidohexane Synonym
- N,N′-Hexamethylenebis[maleimide] Synonym
- 1,6-Hexamethylenebis[maleimide] Synonym
- 1,6-Bismaleimidohexane Synonym
- NSC 12818 Synonym
- 1,6-Maleimidohexane Synonym
- GMBMI Synonym
- 1,6-Hexanediylbismaleimide Synonym
- 1,6-Bismaleimidehexane Synonym
- Hexamethylenediamine bismaleimide Synonym
- GP 207R Synonym
- BMH Crosslinker Synonym
- 1,6-BMH Synonym
- 1-[6-(2,5-Dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione Synonym
- 1,1′-hexane-1,6-diylbis(1H-pyrrole-2,5-dione) Synonym
- 1,1′-(Hexane-1,6-diyl)bis(1H-pyrrole-2,5-dione) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.29 g/mol | CAS Common Chemistry |
| 276.29200000000003 g/mol | RDKit | |
| 276.292 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1CCCCCCN2C(=O)C=CC2=O | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h5-8H,1-4,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PYVHLZLQVWXBDZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136-141 °C | CAS Common Chemistry |
| Name | 1,6-Bismaleimidohexane | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.76 Ų | RDKit |
| 74.3 Ų | chempirical lib | |
| LogP | 0.3967999999999998 | RDKit |
| 0.3968 | RDKit | |
| Molar Refractivity | 70.18800000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 276.111006992 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| 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.
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MW = 276.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H16N2O4.
