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4-Aminophenylphosphorylcholine
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Name

4-Aminophenylphosphorylcholine

 EINECS N/A
CAS No. 102185-28-4 Density N/A
PSA 91.59000 LogP -0.94400
Solubility N/A Melting Point 270-273 °C
Formula C11H19N2O4P Boiling Point N/A
Molecular Weight 274.257 Flash Point N/A
Transport Information N/A Appearance Off white powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 102185-28-4 (4-AMINOPHENYLPHOSPHORYLCHOLINE) Hazard Symbols IrritantXi
Synonyms

p-Aminophenylphosphorylcholine;PAPPC;(4-Aminophenyl) 2-(trimethylazaniumyl)ethyl phosphate;AC1L2T45;ZINC05159402;

Article Data 1

4-Aminophenylphosphorylcholine Synthetic route

21064-69-7

p-nitrophenyl phosphorylcholine

102185-28-4

p-aminophenylphosphorylcholine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium hydrogencarbonate In methanol; butan-1-ol at 45℃; for 48h;43 mg
102185-28-4

p-aminophenylphosphorylcholine

p-diazophenylphosphorylcholine

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

4-Aminophenylphosphorylcholine 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

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