Back to Search
Molecule
Aza-15-Crown-5
CAS: 66943-05-3 · C10H21NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 66943-05-3
- Molecular Formula
- C10H21NO4
- Molecular Mass
- 219.28 g/mol
Identifiers
CAS Registry Number
66943-05-3
SMILES
C1COCCOCCOCCOCCN1
InChI Key
BJUOQSZSDIHZNP-UHFFFAOYSA-N
InChI
InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
Names and Synonyms
- Aza-15-Crown-5 Synonym
- 1,4,7,10-Tetraoxa-13-azacyclopentadecane Synonym
- Monoaza-15-crown-5 Synonym
- Aza-15-crown-5 Synonym
- 1-Aza-4,7,10,13-tetraoxacyclopentadecane Synonym
- 1-Aza-15-crown-5 Synonym
- 1,4,7,10-Tetraoxa-15-azacyclopentadecane Synonym
- 13-Aza-15-crown-5 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.28 g/mol | CAS Common Chemistry |
| 219.28099999999995 g/mol | RDKit | |
| 219.281 g/mol | RDKit | |
| Canonical SMILES | O1CCOCCOCCNCCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BJUOQSZSDIHZNP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29 °C | CAS Common Chemistry |
| Name | Aza-15-crown-5 | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 48.95 Ų | RDKit |
| LogP | -0.3439999999999985 | RDKit |
| -0.344 | RDKit | |
| Molar Refractivity | 56.14570000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 219.147058152 g/mol | RDKit |
| Boiling Point | 80-82 °C @ 0.02 Torr | CAS Common Chemistry |
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 = 219.28 g/mol. Edit any field — others recompute live.
