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Tetradecanoic Acid, 2,5-Dioxo-1-Pyrrolidinyl Ester
CAS: 69888-86-4 | C18H31NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69888-86-4
Molecular Formula:
C18H31NO4
Molecular Mass:
325.45 g/mol
Names and Synonyms:
Tetradecanoic Acid, 2,5-Dioxo-1-Pyrrolidinyl Ester
Tetradecanoic acid, 2,5-dioxo-1-pyrrolidinyl ester
2,5-Pyrrolidinedione, 1-[(1-oxotetradecyl)oxy]-
N-Hydroxysuccinimide myristate
Tetradecanoic acid N-hydroxysuccinimide ester
Myristic acid N-hydroxysuccinimide ester
Succinimidyl tetradecanoate
2,5-Dioxopyrrolidin-1-yl tetradecanoate
Identifiers:
SMILES:
CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI:
InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)23-19-16(20)14-15-17(19)21/h2-15H2,1H3
Key Properties
Melting Point
85-86 °C
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 | 325.45 g/mol | CAS Common Chemistry |
| 325.44900000000007 g/mol | RDKit | |
| 325.225308472 g/mol | RDKit | |
| Canonical SMILES | O=C(ON1C(=O)CCC1=O)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)23-19-16(20)14-15-17(19)21/h2-15H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NZEDHZOVUDEBGW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85-86 °C | CAS Common Chemistry |
| Name | Tetradecanoic acid, 2,5-dioxo-1-pyrrolidinyl ester | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.68 Ų | RDKit |
| LogP | 4.294700000000003 | RDKit |
| Molar Refractivity | 88.25700000000006 | RDKit |
