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157230-68-7 | Phosphonic acid, P-(2-methyl-2-pyrrolidinyl)-, diethyl ester
CAS No: 157230-68-7 Catalog No: AG001PAM MDL No:
Product Description
Catalog Number:
AG001PAM
Chemical Name:
Phosphonic acid, P-(2-methyl-2-pyrrolidinyl)-, diethyl ester
CAS Number:
157230-68-7
Molecular Formula:
C9H20NO3P
Molecular Weight:
221.2338
IUPAC Name:
2-diethoxyphosphoryl-2-methylpyrrolidine
InChI:
InChI=1S/C9H20NO3P/c1-4-12-14(11,13-5-2)9(3)7-6-8-10-9/h10H,4-8H2,1-3H3
InChI Key:
UJLWZCRCTUPTKJ-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C1(C)CCCN1)OCC
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.118g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.237g/mol
Monoisotopic Mass:
221.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Use of diethyl(2-methylpyrrolidin-2-yl)phosphonate as a highly sensitive extra- and intracellular 31P NMR pH indicator in isolated organs. Direct NMR evidence of acidic compartments in the ischemic and reperfused rat liver. | The Journal of biological chemistry 20010119 |
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