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Molecule
Morpholine, 4,4′,4′′-Phosphinylidynetris-
CAS: 4441-12-7 · C12H24N3O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4441-12-7
- Molecular Formula
- C12H24N3O4P
- Molecular Mass
- 305.32 g/mol
Identifiers
CAS Registry Number
4441-12-7
SMILES
O=P(N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChI Key
WXMQHPKQCPCDQO-UHFFFAOYSA-N
InChI
InChI=1S/C12H24N3O4P/c16-20(13-1-7-17-8-2-13,14-3-9-18-10-4-14)15-5-11-19-12-6-15/h1-12H2
Names and Synonyms
- Morpholine, 4,4′,4′′-Phosphinylidynetris- Systematic Name
- Morpholine, 4,4′,4′′-phosphinylidynetris- Synonym
- Phosphine oxide, trimorpholino- Synonym
- Phosphoryl trimorpholide Synonym
- Phosphoric acid trimorpholide Synonym
- Phosphoric trimorpholide Synonym
- Tris(morpholino)phosphine oxide Synonym
- NSC 41250 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.32 g/mol | CAS Common Chemistry |
| 305.31500000000005 g/mol | RDKit | |
| 305.315 g/mol | RDKit | |
| Canonical SMILES | O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C12H24N3O4P/c16-20(13-1-7-17-8-2-13,14-3-9-18-10-4-14)15-5-11-19-12-6-15/h1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WXMQHPKQCPCDQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 186-188 °C @ Solvent: Cyclohexane | CAS Common Chemistry |
| Name | Morpholine, 4,4′,4′′-phosphinylidynetris- | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.480000000000004 Ų | RDKit |
| 54.48 Ų | RDKit | |
| LogP | 0.09110000000000129 | RDKit |
| 0.0911 | RDKit | |
| Molar Refractivity | 74.78250000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 305.150442878 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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20
0 ppm
| 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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MW = 305.32 g/mol. Edit any field — others recompute live.
