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Molecule
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
Identifiers
CAS Registry Number
5625-90-1
SMILES
C1CN(CN2CCOCC2)CCO1
InChI Key
MIFZZKZNMWTHJK-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2O2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-9H2
Names and Synonyms
- Dimorpholinomethane Synonym
- Morpholine, 4,4′-methylenebis- Synonym
- Morpholine, 4,4′-methylenedi- Synonym
- 4,4′-Methylenebis[morpholine] Synonym
- Dimorpholinomethane Synonym
- Bis(morpholino)methane Synonym
- 4,4′-Methylenedimorpholine Synonym
- Methylenebismorpholine Synonym
- N,N′-Methylenebismorpholine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.26 g/mol | CAS Common Chemistry |
| 186.25499999999994 g/mol | RDKit | |
| 186.255 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0494 g/cm3 @ 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 |
| 24.48 Ų | chempirical lib | |
| LogP | -0.3916999999999997 | RDKit |
| -0.3917 | RDKit | |
| Molar Refractivity | 49.65100000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 186.136827816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 186.26 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H18N2O2.
