ChemicalBook--->CAS DataBase List--->4826-71-5

4826-71-5

4826-71-5 Structure

4826-71-5 Structure
IdentificationMore
[Name]

Calcium phosphorylcholine chloride
[CAS]

4826-71-5
[Synonyms]

CALCIUM PHOSPHORYLCHOLINE CHLORIDE
CHOLINE PHOSPHATE CHLORIDE CALCIUM SALT
PHOSPHOCHOLINE CHLORIDE CALCIUM SALT
PHOSPHOROCHOLINE CHLORIDE CALCIUM SALT
PHOSPHORYLCHOLINE CHLORIDE CALCIUM SALT
phosphorylcholine chloride calcium
trimethyl[2-(phosphonooxy)ethyl]ammonium chloride, calcium salt (1:1)
PHOSPHORYLCHOLINE CALCIUM SALT
Calcium 2-(trimethylammonio)ethyl phosphate chloride
[EINECS(EC#)]

225-403-0
[Molecular Formula]

C5H15CaCl3NO4P
[MDL Number]

MFCD00011755
[Molecular Weight]

330.59
[MOL File]

4826-71-5.mol
Chemical PropertiesBack Directory
[density ]

1.613[at 20℃]
[vapor pressure ]

0Pa at 25℃
[storage temp. ]

2-8°C
[Water Solubility ]

203.458g/L at 20℃
[Merck ]

7362
[InChI]

InChI=1S/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2
[InChIKey]

ICVPTJCCKTXCDT-UHFFFAOYSA-L
[SMILES]

C(COP([O-])([O-])=O)[N+](C)(C)C.[Ca+2].[Cl-]
[LogP]

-2.3 at 20℃
[CAS DataBase Reference]

4826-71-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[F ]

3-21
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

Phosphocholine chloride calcium salt is a useful research chemical for organic synthesis. It is used in the improved synthesis of 6-??(O-??phosphorylcholine)??hydroxyhexanoic acid.
[Flammability and Explosibility]

Notclassified
[IC 50]

Human Endogenous Metabolite; Microbial Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

Calcium phosphorylcholine chloride(4826-71-5)1HNMR
Calcium phosphorylcholine chloride(4826-71-5)13CNMR
Calcium phosphorylcholine chloride(4826-71-5)IR1
Calcium phosphorylcholine chloride(4826-71-5)IR2
Calcium phosphorylcholine chloride(4826-71-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4826-71-5(sigmaaldrich)
[TCI AMERICA]

Phosphocholine Chloride Calcium Salt  Tetrahydrate,>98.0%(T)(4826-71-5)
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