Choline Chloride
PubChem CID: 6209
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| Compound Synonyms | CHOLINE CHLORIDE, 67-48-1, Hepacholine, Lipotril, Paresan, 2-Hydroxy-N,N,N-trimethylethanaminium chloride, Hormocline, (2-Hydroxyethyl)trimethylammonium chloride, Biocolina, Biocoline, Luridin chloride, Choline hydrochloride, Neocolina, Bilineurin chloride, Cholinium chloride, Choline, chloride, Chloride de choline, Choline chlorhydrate, Cholini chloridum, Cloruro de colina, CHOLINE (CL), Chlorure de choline, Colina cloruro, Choline chloride [INN], Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride, Choline (chloride), 2-Hydroxyethyl(trimethyl)azanium, chloride, Trimethyl(2-hydroxyethyl)ammonium chloride, CCRIS 3716, HSDB 984, (beta-Hydroxyethyl)trimethylammonium chloride, EINECS 200-655-4, MFCD00011721, NSC 402838, NSC-402838, 2-Hydroxy-N,N,N,-trimethylethanaminium chloride, (2-hydroxyethyl)trimethylazanium chloride, DTXSID4020325, FEMA NO. 4500, UNII-45I14D8O27, AI3-18302, Cloruro de colina [INN-Spanish], CHEBI:133341, Chlorure de choline [INN-French], Ammonium, (2-hydroxyethyl)trimethyl-, chloride, 45I14D8O27, DTXCID20325, CHEMBL282468, EC 200-655-4, 2-Hydroxy-N,N,N-trimethylethanaminium chloride (1:1), Choline chloride - 99%, (2-H2-Hydroxyethyl)trimethylammonium chloride, CHOLINE CHLORIDE (MART.), CHOLINE CHLORIDE [MART.], Cloruro de colina (INN-Spanish), CHOLINE CHLORIDE (USP-RS), CHOLINE CHLORIDE [USP-RS], Chlorure de choline (INN-French), Colina cloruro [DCIT], Chloride de choline [French], Cholini chloridum [INN-Latin], NSC402838, SR-01000075745, 2-hydroxyethyl(trimethyl)azanium chloride, cholinii chloridum, Chloride, Choline, cholinium chloratum, Choline Chloride,(S), 2-hydroxyethyl(trimethyl)ammonium chloride, SCHEMBL14957, CHOLINE CHLORIDE [MI], SPECTRUM1503428, Choline (chloride) (Standard), CHOLINE CHLORIDE [FCC], CHOLINE CHLORIDE [HSDB], CHOLINE CHLORIDE [VANDF], HMS500F09, HY-B1337R, CHOLINE CHLORIDE [WHO-DD], HMS1922E20, HMS2093G05, HMS3652D05, HMS3885F09, Pharmakon1600-01503428, Choline chloride [HOEtN1,1,1]Cl, HY-B1337, Tox21_200492, CCG-39465, NSC758473, s4171, AKOS015903458, Choline chloride - 75% water solution, CS-4855, FC01179, FS-3795, NSC-758473, CAS-67-48-1, WLN: Q2K1&1&1 &Q &G, NCGC00095059-01, NCGC00095059-02, NCGC00258046-01, FC157132, FC179365, DB-055035, NS00076292, SW219165-1, (.beta.-Hydroxyethyl)trimethylammonium chloride, D70213, EN300-102823, AB01568267_01, 2-Hydroxy-N,N,N-trimethylethan-1-aminium chloride, A835769, Q2964153, SR-01000075745-3, SR-01000075745-5, 1CDEFBD7-7905-4D2C-BEA8-44A54D9787D3, F8889-3032, Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (1:1), 200-655-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | OCC[N+]C)C)C.[Cl-] |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organonitrogen compounds |
| Description | Choline chloride is an organic compound and a quaternary ammonium salt. Choline chloride is mass produced and is an important additive in feed especially for chickens where it accelerates growth. Other commercial choline salts are choline hydroxide and choline bitartrate. In foodstuffs the compound is often present as phosphatidylcholine. |
| Classyfire Subclass | Quaternary ammonium salts |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 46.5 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxyethyl(trimethyl)azanium, chloride |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H14ClNO |
| Inchi Key | SGMZJAMFUVOLNK-UHFFFAOYSA-M |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | (&beta, -hydroxyethyl)trimethylammonium chloride, (2-Hydroxyethyl)trimethylammonium chloride, 2-(trimethyl-&beta, -Hydroxyethyl)trimethylammonium chloride, 2-Hydroxy-N,N,N-trimethylammonium chloride, 2-Hydroxy-N,N,N-trimethylethanaminium chloride, Ammonium, (2-hydroxyethyl)trimethyl-, chloride, Bilineurin chloride, Biocolina, Biocoline, Choline chlorhydrate, Choline chloride, INN, Choline hydrochloride, Choline, chloride, Ethanaminium, 2-hydroxy-N,N, N-trimethyl-, chloride, Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride, Hepacholine, Lipotril, Luridin chloride, Paresan, Trimethyl(2-hydroxyethyl)ammonium chloride, choline chloride |
| Esol Class | Very soluble |
| Functional Groups | CO, C[N+](C)(C)C, [Cl-] |
| Compound Name | Choline Chloride |
| Exact Mass | 139.076 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.076 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 139.62 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7, /h7H,4-5H2,1-3H3, 1H/q+1, /p-1 |
| Smiles | C[N+](C)(C)CCO.[Cl-] |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Salviifolium (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Arisaema Tortuosum (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Corydalis Ophiocarpa (Plant) Rel Props:Reference:ISBN:9788185042114 - 4. Outgoing r'ship
FOUND_INto/from Lamprocapnos Spectabilis (Plant) Rel Props:Reference:ISBN:9788172362300; ISBN:9788185042145 - 5. Outgoing r'ship
FOUND_INto/from Misopates Orontium (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788185042084 - 6. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:ISBN:9788172362140