Home Aminos Phosphonic acid, P-[(4-aminophenyl)methyl]-, diethyl ester

Phosphonic acid, P-[(4-aminophenyl)methyl]-, diethyl ester

CAS No.:
20074-79-7
Catalog Number:
AG002CY6
Molecular Formula:
C11H18NO3P
Molecular Weight:
243.2393
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Product Description
Catalog Number:
AG002CY6
Chemical Name:
Phosphonic acid, P-[(4-aminophenyl)methyl]-, diethyl ester
CAS Number:
20074-79-7
Molecular Formula:
C11H18NO3P
Molecular Weight:
243.2393
MDL Number:
MFCD00007913
IUPAC Name:
4-(diethoxyphosphorylmethyl)aniline
InChI:
InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3
InChI Key:
ZVAYUUUQOCPZCZ-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccc(cc1)N)OCC
EC Number:
243-504-8
NSC Number:
84194
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.102g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.243g/mol
Monoisotopic Mass:
243.102g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Aromatic phosphonates inhibit the lysophospholipase D activity of autotaxin. Bioorganic & medicinal chemistry letters 20110901
Properties