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Molecule
Diphenylpropylphosphine
CAS: 7650-84-2 · C15H17P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7650-84-2
- Molecular Formula
- C15H17P
- Molecular Mass
- 228.27 g/mol
Identifiers
CAS Registry Number
7650-84-2
SMILES
CCCP(c1ccccc1)c1ccccc1
InChI Key
AAXGWYDSLJUQLN-UHFFFAOYSA-N
InChI
InChI=1S/C15H17P/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
Names and Synonyms
- Diphenylpropylphosphine Synonym
- Phosphine, diphenylpropyl- Synonym
- Diphenylpropylphosphine Synonym
- Propyldiphenylphosphine Synonym
- n-Propyldiphenylphosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.27 g/mol | CAS Common Chemistry |
| 228.275 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H17P/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AAXGWYDSLJUQLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diphenylpropylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.529300000000002 | RDKit |
| 3.5293 | RDKit | |
| 3.88 | chempirical lib | |
| Molar Refractivity | 74.23000000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 228.106787174 g/mol | RDKit |
| Boiling Point | 163-165 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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 = 228.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H17P.
