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4-Phenylmorpholine
CAS: 92-53-5 | C10H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
92-53-5
Molecular Formula:
C10H13NO
Molecular Mass:
163.22 g/mol
Names and Synonyms:
4-Phenylmorpholine
Morpholine, 4-phenyl-
4-Phenylmorpholine
N-Phenylmorpholine
Morpholinobenzene
(4-Morpholinyl)benzene
NSC 239125
NSC 2628
Identifiers:
SMILES:
c1ccc(N2CCOCC2)cc1
InChI:
InChI=1S/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2
Key Properties
Boiling Point
165-170 °C
CAS Common Chemistry
Melting Point
52.5 °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 | 163.22 g/mol | CAS Common Chemistry |
| 163.099714036 g/mol | RDKit | |
| Boiling Point | 165-170 °C | CAS Common Chemistry |
| Canonical SMILES | O1CCN(C=2C=CC=CC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FHQRDEDZJIFJAL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52.5 °C | CAS Common Chemistry |
| Name | 4-Phenylmorpholine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| LogP | 1.5231999999999999 | RDKit |
| Molar Refractivity | 49.47400000000003 | RDKit |
