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Molecule
Tripropylphosphine
CAS: 2234-97-1 · C9H21P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2234-97-1
- Molecular Formula
- C9H21P
- Molecular Mass
- 160.24 g/mol
Identifiers
CAS Registry Number
2234-97-1
SMILES
CCCP(CCC)CCC
InChI Key
KCTAHLRCZMOTKM-UHFFFAOYSA-N
InChI
InChI=1S/C9H21P/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
Names and Synonyms
- Tripropylphosphine Common Name
- Phosphine, tripropyl- Synonym
- Tripropylphosphine Synonym
- Tri-n-propylphosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.24 g/mol | CAS Common Chemistry |
| 160.24099999999996 g/mol | RDKit | |
| 160.241 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.807 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | P(CCC)(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H21P/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KCTAHLRCZMOTKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tripropylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.6983000000000024 | RDKit |
| 3.6983 | RDKit | |
| Molar Refractivity | 52.39400000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 160.138087302 g/mol | RDKit |
| Boiling Point | 103.5 °C @ 50 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 160.24 g/mol; density = 0.810 g/mL. Edit any field — others recompute live.
