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P-Nitrophenylphosphorylcholine

CAT: 0931-T37434-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T37434-01Size:25 mg
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CAS Number
21064-69-7
Target
Others
Related Pathways
Others
Purity
0.9934
Bioactivity
P-Nitrophenylphosphorylcholine is a chromogenic substrate for measuring phospholipase C activity, releasing p-nitrophenol that can be quantified at 405 nm.
Smiles
[O-][N+](C1=CC=C(C=C1)OP([O-])(OCC[N+](C)(C)C)=O)=O
Molecular Formula
C11H17N2O6P
Molecular Weight
304.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ethanaminium, 2-hydroxy(4-nitrophenoxy)phosphinyloxy-n,n,n-trimethyl-, inner salt
CAS Number21064-69-7
PubChem CID4307994
IUPAC Name(4-nitrophenyl) 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC11H17N2O6P
Molecular Weight304.24
XLogP0.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity362
SMILES
C[N+](C)(C)CCOP(=O)([O-])OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H17N2O6P/c1-13(2,3)8-9-18-20(16,17)19-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3
InChIKey
NAIXASFEPQPICN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ethanaminium, 2-hydroxy(4-nitrophenoxy)phosphinyloxy-n,n,n-trimethyl-, inner salt
CAS: 21064-69-7
CID: 4307994
Formula: C11H17N2O6P
MW: 304.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.24
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass304.08242326
Monoisotopic Mass304.08242326
Topological Polar Surface Area104 Ų
Heavy Atom Count20
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes