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Molecule
4-Phenylmorpholine
CAS: 92-53-5 · C10H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 92-53-5
- Molecular Formula
- C10H13NO
- Molecular Mass
- 163.22 g/mol
Identifiers
CAS Registry Number
92-53-5
SMILES
c1ccc(N2CCOCC2)cc1
InChI Key
FHQRDEDZJIFJAL-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2
Names and Synonyms
- 4-Phenylmorpholine Synonym
- Morpholine, 4-phenyl- Synonym
- 4-Phenylmorpholine Synonym
- N-Phenylmorpholine Synonym
- Morpholinobenzene Synonym
- (4-Morpholinyl)benzene Synonym
- NSC 239125 Synonym
- NSC 2628 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.22 g/mol | CAS Common Chemistry |
| 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 |
| 12.24 Ų | chempirical lib | |
| LogP | 1.5231999999999999 | RDKit |
| 1.5232 | RDKit | |
| Molar Refractivity | 49.47400000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 163.099714036 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
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MW = 163.22 g/mol. Edit any field — others recompute live.
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