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157141-27-0 | Acetonitrile, 2-(tributylphosphoranylidene)-
CAS No: 157141-27-0 Catalog No: AG001P8O MDL No:MFCD01321151
Product Description
Catalog Number:
AG001P8O
Chemical Name:
Acetonitrile, 2-(tributylphosphoranylidene)-
CAS Number:
157141-27-0
Molecular Formula:
C14H28NP
Molecular Weight:
241.3526
MDL Number:
MFCD01321151
IUPAC Name:
2-(tributyl-λ5-phosphanylidene)acetonitrile
InChI:
InChI=1S/C14H28NP/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h14H,4-9,11-13H2,1-3H3
InChI Key:
OZMLUMPWPFZWTP-UHFFFAOYSA-N
SMILES:
CCCCP(=CC#N)(CCCC)CCCC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.196g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.359g/mol
Monoisotopic Mass:
241.196g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 2-(1,3-Dioxan-2-yl)ethylsulfonyl group: a new versatile protecting and activating group for amine synthesis. | Organic letters 20060105 |
| Preparation of (Cyanomethylene)tributylphosphorane: a new mitsunobu-type reagent. | Chemical & pharmaceutical bulletin 20051101 |
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