Phosphocholine Chloride Calcium Salt Tetrahydrate - CAS 72556-74-2
Catalog: |
BB034650 |
Product Name: |
Phosphocholine Chloride Calcium Salt Tetrahydrate |
CAS: |
72556-74-2 |
Synonyms: |
calcium;2-(trimethylammonio)ethyl phosphate;chloride;tetrahydrate; calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride;tetrahydrate |
IUPAC Name: | calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride;tetrahydrate |
Description: | Phosphocholine Chloride Calcium Salt Tetrahydrate (CAS# 72556-74-2) is a useful research chemical. |
Molecular Weight: | 329.73 |
Molecular Formula: | C5H21ClNO8PCa |
Canonical SMILES: | C[N+](C)(C)CCOP(=O)([O-])[O-].O.O.O.O.[Cl-].[Ca+2] |
InChI: | InChI=1S/C5H14NO4P.Ca.ClH.4H2O/c1-6(2,3)4-5-10-11(7,8)9;;;;;;/h4-5H2,1-3H3,(H-,7,8,9);;1H;4*1H2/q;+2;;;;;/p-2 |
InChI Key: | JGULOZKZZMBGFX-UHFFFAOYSA-L |
Purity: | 98 % |
MDL: | MFCD00149983 |
LogP: | 3.74800 |
GHS Hazard Statement: | H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.56%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021011674-A1 | Methods useful in treating cancers harboring a kras or hras mutation or amplification | 20190715 |
CN-208700933-U | A kind of phosphoryl chloride choline calcium salt crystal system | 20180724 |
CN-108610359-A | The preparation method of phosphoryl chloride choline calcium salt | 20180421 |
US-10144815-B2 | Modified nano-clays and coating compositions including the same | 20150929 |
US-2017088697-A1 | Modified nano-clays and coating compositions including the same | 20150929 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 7 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.0319222 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.0319222 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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