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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
Names and Synonyms:
2-Cyanoethyl N,N-Diisopropylchlorophosphoramidite
Phosphoramidochloridous acid, N,N-bis(1-methylethyl)-, 2-cyanoethyl ester
Phosphoramidochloridous acid, bis(1-methylethyl)-, 2-cyanoethyl ester
Chloro(β-cyanoethoxy)(diisopropylamino)phosphine
2-Cyanoethyl N,N-diisopropylchlorophosphoramidite
β-Cyanoethyl N,N-diisopropylamidochlorophosphite
Chloro(2-cyanoethoxy)(diisopropylamino)phosphine
Chloro(diisopropylamino)-β-cyanoethoxyphosphine
(2-Cyanoethoxy)(diisopropylamino)chlorophosphane
2-Cyanoethyl diisopropylchlorophosphoramidite
2-Cyanoethyl N,N-diisopropylchlorophosphoroamidite
(2-Cyanoethoxy)(N,N-diisopropylamino)chlorophosphine
(2-Cyanoethoxy)(Diisopropylamino)chlorophosphine
2-Cyanoethyl diisopropylphosphoramidochloridite
Amidite reagent
(2-O-Cyanoethyl)(N,N-diisopropylamino)chlorophosphine
2-Cyanoethyl N,N-diisopropylphosphoramidochloridite
3-[[(Chloro)(diisopropylamino)phosphanyl]oxy]propanenitrile
Cyanoethyl-N,N-diisopropylchlorophosphoramidite
3-((Chloro(diisopropylamino)phosphino)oxy)propanenitrile
Identifiers:
SMILES:
CC(C)N(C(C)C)P(Cl)OCCC#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
Key Properties
Boiling Point
86-90 °C @ Press: 0.05 Torr
CAS Common Chemistry
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 | 236.68 g/mol | CAS Common Chemistry |
| 236.68299999999996 g/mol | RDKit | |
| 236.08452750599997 g/mol | RDKit | |
| Boiling Point | 86-90 °C @ Press: 0.05 Torr | CAS Common Chemistry |
| 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 |
| LogP | 3.5011800000000024 | RDKit |
| Molar Refractivity | 61.066000000000045 | RDKit |
