Fluorocholine
Basic information
- CAS
791056-61-6- Standard SMILES
C[N+](C)(CF)CCO- InChIKey
PBVFROWIWWGIFK-UHFFFAOYSA-N- Molecular formula
- C5H13FNO+
- Average molar mass
- 122.16 g/mol
- Monoisotopic mass
- 122.0981172
Overview
a radiopharmaceutical agent
Names & identifiers
- Preferred name
- Fluorocholine
- IUPAC
- fluoromethyl-(2-hydroxyethyl)-dimethylazanium
Names & synonyms
Fluorocholine791056-61-6Ethanaminium, N-(fluoromethyl)-2-hydroxy-N,N-dimethyl-6029HGL0QPFluoromethyldimethyl-2-hydroxyethyl-ammoniumDTXSID60328055RefChem:140924DTXCID00225973DTXCID9022037618F-Fluorocholine44580-38-3DTXSID70274498
Show more names
UNII-6029HGL0QPFCHN,N-dimethyl-N-(18F)fluoromethyl-2-hydroxyethylammoniumfluoromethyl-(2-hydroxyethyl)-dimethylazaniumA1H9ISCHEMBL795679(FLUOROMETHYL)(2-HYDROXYETHYL)DIMETHYLAZANIUMCHEMBL4303280
Database identifiers
- CAS
791056-61-6- PubChem CID
- 404592
- DTXSID
DTXSID60328055- ChEMBL
CHEMBL4303280- UNII
- 6029HGL0QP
- Nikkaji
- J1.470.206G
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 1
- Complexity
- 65.4
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Related reactions
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Compound notes
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