Back to Search
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
Names and Synonyms:
Aza-15-Crown-5
1,4,7,10-Tetraoxa-13-azacyclopentadecane
Monoaza-15-crown-5
Aza-15-crown-5
1-Aza-4,7,10,13-tetraoxacyclopentadecane
1-Aza-15-crown-5
1,4,7,10-Tetraoxa-15-azacyclopentadecane
13-Aza-15-crown-5
Identifiers:
SMILES:
C1COCCOCCOCCOCCN1
InChI:
InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
Key Properties
Boiling Point
80-82 °C @ Press: 0.02 Torr
CAS Common Chemistry
Melting Point
29 °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 | 219.28 g/mol | CAS Common Chemistry |
| 219.28099999999995 g/mol | RDKit | |
| 219.147058152 g/mol | RDKit | |
| Boiling Point | 80-82 °C @ Press: 0.02 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 56.14570000000005 | RDKit |
