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14596-56-6 | Phosphonic acid, P-[2-(dimethylamino)ethyl]-
CAS No: 14596-56-6 Catalog No: AG001DK4 MDL No:
Product Description
Catalog Number:
AG001DK4
Chemical Name:
Phosphonic acid, P-[2-(dimethylamino)ethyl]-
CAS Number:
14596-56-6
Molecular Formula:
C4H12NO3P
Molecular Weight:
153.1167
IUPAC Name:
2-(dimethylamino)ethylphosphonic acid
InChI:
InChI=1S/C4H12NO3P/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)
InChI Key:
QVUUJUCAEDDQDR-UHFFFAOYSA-N
SMILES:
CN(CCP(=O)(O)O)C
NSC Number:
133873
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.055g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.118g/mol
Monoisotopic Mass:
153.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
Literature
| Title | Journal |
|---|---|
| Structure of the Escherichia coli phosphonate binding protein PhnD and rationally optimized phosphonate biosensors. | Journal of molecular biology 20111202 |
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