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102185-28-4 | Ethanaminium, 2-[[(4-aminophenoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt
CAS No: 102185-28-4 Catalog No: AG0006SY MDL No:
Product Description
Catalog Number:
AG0006SY
Chemical Name:
Ethanaminium, 2-[[(4-aminophenoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt
CAS Number:
102185-28-4
Molecular Formula:
C11H19N2O4P
Molecular Weight:
274.2533
IUPAC Name:
(4-aminophenyl) 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C11H19N2O4P/c1-13(2,3)8-9-16-18(14,15)17-11-6-4-10(12)5-7-11/h4-7H,8-9,12H2,1-3H3
InChI Key:
SBUYBNIDQXQZSZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)OP(=O)(OCC[N+](C)(C)C)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.257g/mol
Monoisotopic Mass:
274.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| National pholcodine consumption and prevalence of IgE-sensitization: a multicentre study. | Allergy 20100401 |
| Heterogeneity of the human phosphocholine-specific B cell repertoire. | Journal of immunology (Baltimore, Md. : 1950) 19840301 |
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