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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
Names and Synonyms:
1,1′,1′′-Phosphinylidynetris[Pyrrolidine]
Pyrrolidine, 1,1′,1′′-phosphinylidynetris-
Phosphine oxide, tri-1-pyrrolidinyl-
1,1′,1′′-Phosphinylidynetris[pyrrolidine]
Phosphoric acid tripyrrolidide
Tripyrrolidinephosphoramide
Tripyrrolidinophosphine oxide
NSC 270579
Tris(pyrrolidino)phosphine oxide
Tri(pyrrolidin-1-yl)phosphine oxide
Identifiers:
SMILES:
O=P(N1CCCC1)(N1CCCC1)N1CCCC1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.32 g/mol | CAS Common Chemistry |
| 257.3179999999999 g/mol | RDKit | |
| 257.165699018 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 |
| LogP | 2.381900000000001 | RDKit |
| Molar Refractivity | 70.02750000000005 | RDKit |
