Calcium phosphorylcholine
Basic information
- CAS
15557-11-6- Standard SMILES
C[N+](C)(C)CCOP(=O)([O-])[O-].[Ca+2].[Cl-]- InChIKey
ICVPTJCCKTXCDT-UHFFFAOYSA-L- Molecular formula
- C5H13CaClNO4P
- Average molar mass
- 257.66 g/mol
- Monoisotopic mass
- 256.9896634
Names & identifiers
- Preferred name
- Calcium phosphorylcholine
- IUPAC
- calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride
Names & synonyms
Calcium phosphorylcholineDTXSID601335812Trimethyl(2-(phosphonooxy)ethyl)ammonium chloride, calcium salt (1:1)Trimethyl[2-(phosphonooxy)ethyl]ammonium chloride, calcium salt (1:1)RefChem:573550DTXCID501363866CALCIUM PHOSPHORYLCHOLINE CHLORIDE4826-71-5Trans-colinPhosphocholine Chloride Calcium SaltPhosphorylcholine calcium chloride15557-11-6
Show more names
MFCD00011755Phosphorylcholine calcium saltcalcium 2-(trimethylammonio)ethyl phosphate chlorideP5994SX1EKcalcium;2-(trimethylazaniumyl)ethyl phosphate;chloridePhosphorylcholine chloride calcium saltN,N,N-Trimethyl-2-(phosphonooxy)ethanaminium chloride xcalcium saltC5H13CaClNO4P
Database identifiers
- CAS
15557-11-6、4826-71-5- PubChem CID
- 20968
- DTXSID
DTXSID601335812- UNII
- P5994SX1EK
- EC Number
- 225-403-0、239-610-9
Properties
Computed structural properties
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 147
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 15.8% (3 of 19) of reports.
Warning
H315 (78.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 19 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Trimethyl[2-(phosphonooxy)ethyl]ammonium chloride, calcium salt (1:1) (EC: 225-403-0)
Hazard Classes and CategoriesSkin Irrit. 2 (78.9%)
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Related reactions
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Compound notes
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