Back to Search
Molecule
Stearic Acid N-Hydroxysuccinimide Ester
CAS: 14464-32-5 · C22H39NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14464-32-5
- Molecular Formula
- C22H39NO4
- Molecular Mass
- 381.56 g/mol
Identifiers
CAS Registry Number
14464-32-5
SMILES
CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI Key
ZERWDZDNDJBYKA-UHFFFAOYSA-N
InChI
InChI=1S/C22H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-23-20(24)18-19-21(23)25/h2-19H2,1H3
Names and Synonyms
- Stearic Acid N-Hydroxysuccinimide Ester Common Name
- Succinimide, N-(stearoyloxy)- Synonym
- Octadecanoic acid, 2,5-dioxo-1-pyrrolidinyl ester Synonym
- 2,5-Pyrrolidinedione, 1-[(1-oxooctadecyl)oxy]- Synonym
- N-(Stearoyloxy)succinimide Synonym
- Stearic acid N-hydroxysuccinimide ester Synonym
- Stearic acid hydroxysuccinimide ester Synonym
- Octadecanoic acid N-hydroxysuccinimide ester Synonym
- Succinimidyl octadecanoate Synonym
- Stearoyl N-hydroxysuccinimide ester Synonym
- Octadecanoic acid succinimidyl ester Synonym
- 2,5-Dioxopyrrolidin-1-yl stearate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 381.56 g/mol | CAS Common Chemistry |
| 381.55700000000013 g/mol | RDKit | |
| 381.557 g/mol | RDKit | |
| Canonical SMILES | O=C(ON1C(=O)CCC1=O)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-23-20(24)18-19-21(23)25/h2-19H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZERWDZDNDJBYKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Stearic acid N-hydroxysuccinimide ester | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.68 Ų | RDKit |
| 63.45 Ų | chempirical lib | |
| LogP | 5.8551000000000055 | RDKit |
| 5.8551 | RDKit | |
| 6.16 | chempirical lib | |
| Molar Refractivity | 106.72500000000008 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8636 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 381.287908728 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 381.56 g/mol. Edit any field — others recompute live.
