Back to Search
Molecule
4-(Phenylmethyl)-2-Morpholinemethanol
CAS: 40987-24-4 · C12H17NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 40987-24-4
- Molecular Formula
- C12H17NO2
- Molecular Mass
- 207.27 g/mol
Identifiers
CAS Registry Number
40987-24-4
SMILES
OCC1CN(Cc2ccccc2)CCO1
InChI Key
WQNIKIMRIXHNFF-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
Names and Synonyms
- 4-(Phenylmethyl)-2-Morpholinemethanol Systematic Name
- 2-Morpholinemethanol, 4-(phenylmethyl)- Synonym
- 4-(Phenylmethyl)-2-morpholinemethanol Synonym
- 4-Benzyl-2-(hydroxymethyl)morpholine Synonym
- N-Benzyl-2-(hydroxymethyl)morpholine Synonym
- 4-Benzyl-2-morpholinemethanol Synonym
- (4-Benzylmorpholin-2-yl)methanol Synonym
- 2-Hydroxymethyl-4-benzylmorpholine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.27 g/mol | CAS Common Chemistry |
| 207.27299999999997 g/mol | RDKit | |
| 207.273 g/mol | RDKit | |
| Canonical SMILES | OCC1OCCN(CC=2C=CC=CC2)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WQNIKIMRIXHNFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(Phenylmethyl)-2-morpholinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.7 Ų | RDKit |
| 32.47 Ų | chempirical lib | |
| LogP | 0.8797000000000001 | RDKit |
| 0.8797 | RDKit | |
| Molar Refractivity | 58.544800000000045 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 207.125928784 g/mol | RDKit |
| Boiling Point | 113-115 °C @ 0.01 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 = 207.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H17NO2.
