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Molecule
Succinimidyl 4-(N-Maleimidomethyl)Cyclohexane-1-Carboxylate
CAS: 64987-85-5 · C16H18N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 64987-85-5
- Molecular Formula
- C16H18N2O6
- Molecular Mass
- 334.33 g/mol
Identifiers
CAS Registry Number
64987-85-5
SMILES
O=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChI Key
JJAHTWIKCUJRDK-UHFFFAOYSA-N
InChI
InChI=1S/C16H18N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11H,1-4,7-9H2
Names and Synonyms
- Succinimidyl 4-(N-Maleimidomethyl)Cyclohexane-1-Carboxylate Synonym
- Cyclohexanecarboxylic acid, 4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-, 2,5-dioxo-1-pyrrolidinyl ester Synonym
- 1H-Pyrrole-2,5-dione, 1-[[4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]cyclohexyl]methyl]- Synonym
- SMCC Synonym
- 4-(N-Maleimidomethyl)cyclohexane-1-carboxylic acid N-hydroxysuccinimide ester Synonym
- Succinimidyl 4-(N-maleimidomethyl)cyclohexanecarboxylate Synonym
- NSC 344483 Synonym
- N-Hydroxysuccinimidyl 4-(N-maleimidomethyl)cyclohexane-1-carboxylate Synonym
- N-Succinimidyl 4-(maleimidomethyl)cyclohexanecarboxylate Synonym
- 2,5-Dioxopyrrolidin-1-yl 4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexancarboxylate Synonym
- Succinimidyl 4-[maleimidomethyl]cyclohexan-1-carboxylate Synonym
- (2,5-Dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate Synonym
- 2,5-Dioxopyrrolidin-1-yl 4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexanecarboxylate Synonym
- Succinimidyl 4-(maleimidomethyl)cyclohexane-1-carboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 334.33 g/mol | CAS Common Chemistry |
| 334.3280000000001 g/mol | RDKit | |
| 334.328 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Succinimidyl_4-(N-maleimidomethyl)cyclohexane-1-carboxylate | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CC(=O)N1CC2CCC(C(=O)ON3C(=O)CCC3=O)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H18N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11H,1-4,7-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JJAHTWIKCUJRDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Succinimidyl 4-(N-maleimidomethyl)cyclohexanecarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 101.06 Ų | RDKit |
| 100.6 Ų | chempirical lib | |
| LogP | 0.3249999999999993 | RDKit |
| 0.325 | RDKit | |
| Molar Refractivity | 78.48700000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5625 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 334.11648629599995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 334.33 g/mol. Edit any field — others recompute live.
