choline chloride

Identification (Source:EPA,EU)

ID 1745
Name choline chloride
CAS 67-48-1
IUPAC
Inchi InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
CIPAC None allocated
EPA Code
Formula C5H14ClNO
SMILES [Cl-].OCC[N+](C)(C)C
Status Not Approved

Classification

Mode of Action Probable enhanced formation of plant hormone abscisic acid (ABA)
Pesticide Type Plant growth regulator
Chemical Group Unclassified
Classification unclassified plant growth regulators

Properties (Source:PubChem)

Molecular Weight 139.62
Physical State White hygroscobic crystals
AlogP -4.248
H-Bond Donor 1
H-Bond Acceptor 1
Surface Area 183.32
Polar Surface Area 58.71

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 1000 mg l-1
Aquatic invertebrates Acute 48 hour EC50 349 mg l-1
Fish Acute 96 hour LC50 100 mg l-1
Mammals Acute oral LD50 3400 mg kg-1
Bio-concentration factor BCF 0.59
Bio-concentration factor CT50 Not available days
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