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Molecule
M-Maleimidobenzoyl-N-Hydroxysuccinimide
CAS: 58626-38-3 · C15H10N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 58626-38-3
- Molecular Formula
- C15H10N2O6
- Molecular Mass
- 314.25 g/mol
Identifiers
CAS Registry Number
58626-38-3
SMILES
O=C(ON1C(=O)CCC1=O)c1cccc(N2C(=O)C=CC2=O)c1
InChI Key
LLXVXPPXELIDGQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H10N2O6/c18-11-4-5-12(19)16(11)10-3-1-2-9(8-10)15(22)23-17-13(20)6-7-14(17)21/h1-5,8H,6-7H2
Names and Synonyms
- M-Maleimidobenzoyl-N-Hydroxysuccinimide Common Name
- Benzoic acid, 3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, 2,5-dioxo-1-pyrrolidinyl ester Synonym
- 1H-Pyrrole-2,5-dione, 1-[3-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]- Synonym
- m-Maleimidobenzoic acid N-hydroxysuccinimide ester Synonym
- N-(m-Maleimidobenzoyloxy)succinimide Synonym
- m-Maleimidobenzoyl N-hydroxysuccinimide ester Synonym
- N-(m-Maleimidobenzoyloxy)succinamide Synonym
- m-Maleimidobenzoyl-N-hydroxysuccinimide Synonym
- MMBS Synonym
- MBS Synonym
- N-(3-Maleimidobenzoyloxy)succinamide Synonym
- NSC 294786 Synonym
- (2,5-Dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 314.25 g/mol | CAS Common Chemistry |
| 314.25300000000004 g/mol | RDKit | |
| 314.253 g/mol | RDKit | |
| Canonical SMILES | O=C(ON1C(=O)CCC1=O)C2=CC=CC(=C2)N3C(=O)C=CC3=O | CAS Common Chemistry |
| InChI | InChI=1S/C15H10N2O6/c18-11-4-5-12(19)16(11)10-3-1-2-9(8-10)15(22)23-17-13(20)6-7-14(17)21/h1-5,8H,6-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LLXVXPPXELIDGQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175-178 °C @ Solvent: Dichloromethane, Hexane | CAS Common Chemistry |
| Name | m-Maleimidobenzoyl-N-hydroxysuccinimide | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 101.06 Ų | RDKit |
| 100.6 Ų | chempirical lib | |
| LogP | 0.3367999999999999 | RDKit |
| 0.3368 | RDKit | |
| Molar Refractivity | 74.57750000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 314.05388603999995 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
180
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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 = 314.25 g/mol. Edit any field — others recompute live.
