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Molecule
11-Maleimidoundecanoic Acid
CAS: 57079-01-3 · C15H23NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 57079-01-3
- Molecular Formula
- C15H23NO4
- Molecular Mass
- 281.35 g/mol
Identifiers
CAS Registry Number
57079-01-3
SMILES
O=C(O)CCCCCCCCCCN1C(=O)C=CC1=O
InChI Key
UVZTZBRGZXIBLZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H23NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h10-11H,1-9,12H2,(H,19,20)
Names and Synonyms
- 11-Maleimidoundecanoic Acid Synonym
- 1H-Pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo- Synonym
- 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-undecanoic acid Synonym
- N-(10-Carboxydecyl)maleimide Synonym
- AM 10 Synonym
- 11-Maleimidoundecanoic acid Synonym
- 11-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)undecanoicacid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 281.35 g/mol | CAS Common Chemistry |
| 281.352 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1CCCCCCCCCCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C15H23NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h10-11H,1-9,12H2,(H,19,20) | CAS Common Chemistry |
| InChI Key | InChIKey=UVZTZBRGZXIBLZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88 °C | CAS Common Chemistry |
| Name | 11-Maleimidoundecanoic acid | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.68 Ų | RDKit |
| 74.45 Ų | chempirical lib | |
| LogP | 2.506900000000001 | RDKit |
| 2.5069 | RDKit | |
| Molar Refractivity | 75.04880000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 281.162708216 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 281.35 g/mol. Edit any field — others recompute live.
