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Dimorpholinomethane
CAS: 5625-90-1 | C9H18N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5625-90-1
Molecular Formula:
C9H18N2O2
Molecular Mass:
186.26 g/mol
Names and Synonyms:
Dimorpholinomethane
Morpholine, 4,4′-methylenebis-
Morpholine, 4,4′-methylenedi-
4,4′-Methylenebis[morpholine]
Dimorpholinomethane
Bis(morpholino)methane
4,4′-Methylenedimorpholine
Methylenebismorpholine
N,N′-Methylenebismorpholine
Identifiers:
SMILES:
C1CN(CN2CCOCC2)CCO1
InChI:
InChI=1S/C9H18N2O2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-9H2
Key Properties
Boiling Point
139-140 °C
CAS Common Chemistry
Density
1.05 g/cm³
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 | 186.26 g/mol | CAS Common Chemistry |
| 186.25499999999994 g/mol | RDKit | |
| 186.136827816 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0494 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 139-140 °C | CAS Common Chemistry |
| Canonical SMILES | O1CCN(CN2CCOCC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N2O2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MIFZZKZNMWTHJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dimorpholinomethane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.94 Ų | RDKit |
| LogP | -0.3916999999999997 | RDKit |
| Molar Refractivity | 49.65100000000004 | RDKit |
