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Molecule
2-Cyanoethyl Tetraisopropylphosphorodiamidite
CAS: 102691-36-1 · C15H32N3OP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 102691-36-1
- Molecular Formula
- C15H32N3OP
- Molecular Mass
- 301.42 g/mol
Identifiers
CAS Registry Number
102691-36-1
SMILES
CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C
InChI Key
RKVHNYJPIXOHRW-UHFFFAOYSA-N
InChI
InChI=1S/C15H32N3OP/c1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8/h12-15H,9,11H2,1-8H3
Names and Synonyms
- 2-Cyanoethyl Tetraisopropylphosphorodiamidite Systematic Name
- Phosphorodiamidous acid, N,N,N′,N′-tetrakis(1-methylethyl)-, 2-cyanoethyl ester Synonym
- Phosphorodiamidous acid, tetrakis(1-methylethyl)-, 2-cyanoethyl ester Synonym
- 2-Cyanoethoxybis(N,N-diisopropylamino)phosphine Synonym
- Bis(diisopropylamino)(2-cyanoethoxy)phosphine Synonym
- β-Cyanoethyl N,N,N′,N′-tetraisopropylphosphorodiamidite Synonym
- β-Cyanoethyl-N,N,N′,N′-tetraisopropyldiamidophosphite Synonym
- 2-Cyanoethyl-N,N,N1,N1-tetraisopropylphosphorodiamidite Synonym
- Bis(diisopropylamino)-2-cyanoethoxyphosphane Synonym
- 2-Cyanoethyl tetraisopropylphosphorodiamidite Synonym
- 2-Cyanoethyl N,N,N′,N′-tetraisopropylphosphordiamidite Synonym
- 3-Bis(diisopropylamino)phosphanyloxypropanenitrile Synonym
- 2-Cyanoethyl N,N,N,N-tetraisopropyl phosphoramidite Synonym
- 3-([Bis[bis(propan-2-yl)amino]phosphanyl]oxy)propanenitrile Synonym
- 3-Bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile Synonym
- 3-((Bis(diisopropylamino)phosphino)oxy)propanenitrile Synonym
- (2-Cyanoethoxy)bis(diisopropylamino)phosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 301.42 g/mol | CAS Common Chemistry |
| 301.415 g/mol | RDKit | |
| Canonical SMILES | N#CCCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H32N3OP/c1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8/h12-15H,9,11H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RKVHNYJPIXOHRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Cyanoethyl tetraisopropylphosphorodiamidite | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 39.5 Ų | RDKit |
| 40.84 Ų | chempirical lib | |
| LogP | 4.381180000000004 | RDKit |
| 4.3812 | RDKit | |
| 4.6 | chempirical lib | |
| Molar Refractivity | 87.32400000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9333 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 301.22829927399994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 301.42 g/mol. Edit any field — others recompute live.
