Back to Search
Molecule
1,1′,1′′-Phosphinylidynetris[Pyrrolidine]
CAS: 6415-07-2 · C12H24N3OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6415-07-2
- Molecular Formula
- C12H24N3OP
- Molecular Mass
- 257.32 g/mol
Identifiers
CAS Registry Number
6415-07-2
SMILES
O=P(N1CCCC1)(N1CCCC1)N1CCCC1
InChI Key
GQOGEHIVQIMJMO-UHFFFAOYSA-N
InChI
InChI=1S/C12H24N3OP/c16-17(13-7-1-2-8-13,14-9-3-4-10-14)15-11-5-6-12-15/h1-12H2
Names and Synonyms
- 1,1′,1′′-Phosphinylidynetris[Pyrrolidine] Systematic Name
- Pyrrolidine, 1,1′,1′′-phosphinylidynetris- Synonym
- Phosphine oxide, tri-1-pyrrolidinyl- Synonym
- 1,1′,1′′-Phosphinylidynetris[pyrrolidine] Synonym
- Phosphoric acid tripyrrolidide Synonym
- Tripyrrolidinephosphoramide Synonym
- Tripyrrolidinophosphine oxide Synonym
- NSC 270579 Synonym
- Tris(pyrrolidino)phosphine oxide Synonym
- Tri(pyrrolidin-1-yl)phosphine oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.32 g/mol | CAS Common Chemistry |
| 257.3179999999999 g/mol | RDKit | |
| 257.318 g/mol | RDKit | |
| Canonical SMILES | O=P(N1CCCC1)(N2CCCC2)N3CCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C12H24N3OP/c16-17(13-7-1-2-8-13,14-9-3-4-10-14)15-11-5-6-12-15/h1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GQOGEHIVQIMJMO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1′,1′′-Phosphinylidynetris[pyrrolidine] | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.790000000000006 Ų | RDKit |
| 26.79 Ų | RDKit | |
| LogP | 2.381900000000001 | RDKit |
| 2.3819 | RDKit | |
| Molar Refractivity | 70.02750000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 257.165699018 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 257.32 g/mol. Edit any field — others recompute live.
