CAS No.102185-28-4,4-AMINOPHENYLPHOSPHORYLCHOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102185-28-4
Name:	4-AMINOPHENYLPHOSPHORYLCHOLINE
Article Data:	1

Formula:	C₁₁H₁₉N₂O₄P
Molecular Weight:	274.257
Synonyms:	p-Aminophenylphosphorylcholine;PAPPC;(4-Aminophenyl) 2-(trimethylazaniumyl)ethyl phosphate;AC1L2T45;ZINC05159402;
Melting Point:	270-273 °C
Appearance:	Off white powder
Hazard Symbols:	Xi
PSA:	91.59000
LogP:	-0.94400

Synthetic route

: 21064-69-7
p-nitrophenyl phosphorylcholine

: 102185-28-4
p-aminophenylphosphorylcholine

Conditions

Conditions	Yield
With ammonium formate; palladium on activated charcoal In methanol for 0.0166667h;

: 777-52-6
1-dichlorophosphoryloxy-4-nitro-benzene

: 102185-28-4
p-aminophenylphosphorylcholine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) quinoline; 2.) IWT<*>TMD-8 ion exchange resin / 1.) acetonitrile, 0 deg C, 5 h; 2.) acetonitrile-pyridine-water 2: ammonium formate / 10percent Pd/C / methanol / 0.02 h View Scheme

: 17773-10-3
choline iodide

: 102185-28-4
p-aminophenylphosphorylcholine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) quinoline; 2.) IWT<*>TMD-8 ion exchange resin / 1.) acetonitrile, 0 deg C, 5 h; 2.) acetonitrile-pyridine-water 2: ammonium formate / 10percent Pd/C / methanol / 0.02 h View Scheme

: 74046-55-2
4-(bromomethyl)benzo-15-crown-5

: 102185-28-4
p-aminophenylphosphorylcholine

: 4-<(p-aminophenyl)phosphocholine> methyl benzo-15-crown-5

Conditions

Conditions	Yield
With sodium hydrogencarbonate In methanol; butan-1-ol at 45℃; for 48h;	43 mg

: 102185-28-4
p-aminophenylphosphorylcholine

: p-diazophenylphosphorylcholine

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite In water at 0 - 20℃;

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Specification

The Ethanaminium,2-[[(4-aminophenoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt with CAS registry number of 102185-28-4 is also known as 4-Aminophenylphosphorylcholine. The IUPAC name is (4-Aminophenyl) 2-(trimethylazaniumyl)ethyl phosphate. It belongs to product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. In addition, the formula is C₁₁H₁₉N₂O₄P and the molecular weight is 274.25. What's more, this chemical is a off white powder and it may cause inflammation to the skin or other mucous membranes.

Physical properties about Ethanaminium,2-[[(4-aminophenoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt are: (1)ACD/LogP: -4.22; (2)ACD/LogD (pH 5.5): -3.64; (3)ACD/LogD (pH 7.4): -3.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 68.81Å².

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C[N+](C)(C)CCOP(=O)([O-])OC1=CC=C(C=C1)N
2. 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
3. InChIKey: SBUYBNIDQXQZSZ-UHFFFAOYSA-N