Homocholine
Basic information
- CAS
10238-59-2- Standard SMILES
C[N+](C)(C)CCCO- InChIKey
AACHVWXCVWWMSI-UHFFFAOYSA-N- Molecular formula
- C6H16NO+
- Average molar mass
- 118.2 g/mol
- Monoisotopic mass
- 118.12318913
Overview
record includes halides; iodide used as internal standard for paired-ion HPLC assay for choline; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Homocholine
- IUPAC
- 3-hydroxypropyl(trimethyl)azanium
- English name
- homocholine
- Molecular formula
- C6H16NO+
- Molecular weight
- 118.19734
Names & synonyms
HomocholineHTMPI10238-59-23-Trimethylaminopropan-1-ol3-Hydroxy-N,N,N-trimethylpropanaminiumDTXSID901449821-Propanaminium, 3-hydroxy-N,N,N-trimethyl-RefChem:146711DTXCID50674733-Hydroxy-N,N,N-trimethylpropan-1-aminiumCHEMBL317449SCHEMBL98070
Show more names
Trimethylamino-1-propanol
SCHEMBL1316756SCHEMBL17513000BDBM50147119(3-Hydroxy-propyl)-trimethyl-ammonium
Database identifiers
- CAS
10238-59-2- PubChem CID
- 23169
- DTXSID
DTXSID90144982- ChEMBL
CHEMBL317449- Nikkaji
- J561.691C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 1
- Complexity
- 56
Physicochemical properties
- Melting point
- 235 · 235-238 °C (decomp)
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Related reactions
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Compound notes
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