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Molecule
N-(6-Maleimidocaproyloxy)Succinimide
CAS: 55750-63-5 · C14H16N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55750-63-5
- Molecular Formula
- C14H16N2O6
- Molecular Mass
- 308.29 g/mol
Identifiers
CAS Registry Number
55750-63-5
SMILES
O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChI Key
VLARLSIGSPVYHX-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6H,1-4,7-9H2
Names and Synonyms
- N-(6-Maleimidocaproyloxy)Succinimide Synonym
- 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, 2,5-dioxo-1-pyrrolidinyl ester Synonym
- 1H-Pyrrole-2,5-dione, 1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]- Synonym
- N-(ε-Maleimidocaproyloxy)succinimide Synonym
- N-(6-Maleimidocaproyloxy)succinimide Synonym
- ε-Maleimidocaproic acid N-hydroxysuccinimide ester Synonym
- N-Succinimidyl 6-maleimidohexanoate Synonym
- EMCS Synonym
- N-(6-Maleimide caproyloxy) succinimide Synonym
- N-(6-Maleimideocaproyloxy)succinimide Synonym
- 6-Maleimidohexanoic acid N-hydroxysuccinimide ester Synonym
- 6-Maleimidohexanoic acid N-succinimidyl ester Synonym
- 2,5-Dioxopyrrolidin-1-yl 6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoate Synonym
- 8: PN: WO2018181428 SEQID: 2 claimed sequence Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 308.29 g/mol | CAS Common Chemistry |
| 308.29000000000013 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1CCCCCC(=O)ON2C(=O)CCC2=O | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6H,1-4,7-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VLARLSIGSPVYHX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 79-80 °C @ Solvent: Dichloromethane | CAS Common Chemistry |
| Name | N-(6-Maleimidocaproyloxy)succinimide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 101.06 Ų | RDKit |
| 100.6 Ų | chempirical lib | |
| LogP | 0.07899999999999996 | RDKit |
| 0.079 | RDKit | |
| Molar Refractivity | 71.50700000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 308.10083623199995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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 = 308.29 g/mol. Edit any field — others recompute live.
