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6-Maleimidocaproic Acid
CAS: 55750-53-3 | C10H13NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55750-53-3
Molecular Formula:
C10H13NO4
Molecular Mass:
211.22 g/mol
Names and Synonyms:
6-Maleimidocaproic Acid
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-
2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-hexanoic acid
N-(5-Carboxypentyl)maleimide
6-Maleimidohexanoic acid
6-Maleimidocaproic acid
ε-Maleimidocaproic acid
N-(5-Carboxy-n-pentyl)maleimide
6-Maleimidocapronic acid
ε-Maleimidohexanoic acid
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
Identifiers:
SMILES:
O=C(O)CCCCCN1C(=O)C=CC1=O
InChI:
InChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15/h5-6H,1-4,7H2,(H,14,15)
Key Properties
Melting Point
78 °C @ Solvent: Ethyl acetate
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.22 g/mol | CAS Common Chemistry |
| 211.217 g/mol | RDKit | |
| 211.084457896 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1CCCCCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15/h5-6H,1-4,7H2,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=WOJKKJKETHYEAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 78 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | 6-Maleimidocaproic acid | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.68 Ų | RDKit |
| LogP | 0.5564 | RDKit |
| Molar Refractivity | 51.96380000000002 | RDKit |
