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127780-65-8 | Phosphonic acid, [1-amino-2-(4-methoxyphenyl)ethyl]-, diethyl ester (9CI)
CAS No: 127780-65-8 Catalog No: AG000XEB MDL No:
Product Description
Catalog Number:
AG000XEB
Chemical Name:
Phosphonic acid, [1-amino-2-(4-methoxyphenyl)ethyl]-, diethyl ester (9CI)
CAS Number:
127780-65-8
Molecular Formula:
C13H22NO4P
Molecular Weight:
287.2918
IUPAC Name:
1-diethoxyphosphoryl-2-(4-methoxyphenyl)ethanamine
InChI:
InChI=1S/C13H22NO4P/c1-4-17-19(15,18-5-2)13(14)10-11-6-8-12(16-3)9-7-11/h6-9,13H,4-5,10,14H2,1-3H3
InChI Key:
RGASCRBLLYUYQE-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(Cc1ccc(cc1)OC)N)OCC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.296g/mol
Monoisotopic Mass:
287.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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