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Molecule
2-Cyanoethyl N,N-Diisopropylchlorophosphoramidite
CAS: 89992-70-1 · C9H18ClN2OP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 89992-70-1
- Molecular Formula
- C9H18ClN2OP
- Molecular Mass
- 236.68 g/mol
Identifiers
CAS Registry Number
89992-70-1
SMILES
CC(C)N(C(C)C)P(Cl)OCCC#N
InChI Key
QWTBDIBOOIAZEF-UHFFFAOYSA-N
InChI
InChI=1S/C9H18ClN2OP/c1-8(2)12(9(3)4)14(10)13-7-5-6-11/h8-9H,5,7H2,1-4H3
Names and Synonyms
- 2-Cyanoethyl N,N-Diisopropylchlorophosphoramidite Synonym
- Phosphoramidochloridous acid, N,N-bis(1-methylethyl)-, 2-cyanoethyl ester Synonym
- Phosphoramidochloridous acid, bis(1-methylethyl)-, 2-cyanoethyl ester Synonym
- Chloro(β-cyanoethoxy)(diisopropylamino)phosphine Synonym
- 2-Cyanoethyl N,N-diisopropylchlorophosphoramidite Synonym
- β-Cyanoethyl N,N-diisopropylamidochlorophosphite Synonym
- Chloro(2-cyanoethoxy)(diisopropylamino)phosphine Synonym
- Chloro(diisopropylamino)-β-cyanoethoxyphosphine Synonym
- (2-Cyanoethoxy)(diisopropylamino)chlorophosphane Synonym
- 2-Cyanoethyl diisopropylchlorophosphoramidite Synonym
- 2-Cyanoethyl N,N-diisopropylchlorophosphoroamidite Synonym
- (2-Cyanoethoxy)(N,N-diisopropylamino)chlorophosphine Synonym
- (2-Cyanoethoxy)(Diisopropylamino)chlorophosphine Synonym
- 2-Cyanoethyl diisopropylphosphoramidochloridite Synonym
- Amidite reagent Synonym
- (2-O-Cyanoethyl)(N,N-diisopropylamino)chlorophosphine Synonym
- 2-Cyanoethyl N,N-diisopropylphosphoramidochloridite Synonym
- 3-[[(Chloro)(diisopropylamino)phosphanyl]oxy]propanenitrile Synonym
- Cyanoethyl-N,N-diisopropylchlorophosphoramidite Synonym
- 3-((Chloro(diisopropylamino)phosphino)oxy)propanenitrile Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.68 g/mol | CAS Common Chemistry |
| 236.68299999999996 g/mol | RDKit | |
| 236.683 g/mol | RDKit | |
| Canonical SMILES | N#CCCOP(Cl)N(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H18ClN2OP/c1-8(2)12(9(3)4)14(10)13-7-5-6-11/h8-9H,5,7H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QWTBDIBOOIAZEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Cyanoethyl N,N-diisopropylchlorophosphoramidite | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.26 Ų | RDKit |
| 37.83 Ų | chempirical lib | |
| LogP | 3.5011800000000024 | RDKit |
| 3.5012 | RDKit | |
| 3.19 | chempirical lib | |
| Molar Refractivity | 61.066000000000045 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 236.08452750599997 g/mol | RDKit |
| Boiling Point | 86-90 °C @ 0.05 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 236.68 g/mol. Edit any field — others recompute live.
