3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium
Basic information
- CAS
82914-58-7- Standard SMILES
C[N+](C)(C)CC(O)CCl- InChIKey
XIUCEANTZSXBQQ-UHFFFAOYSA-N- Molecular formula
- C6H15ClNO+
- Average molar mass
- 152.64 g/mol
- Monoisotopic mass
- 152.0842168
Names & identifiers
- Preferred name
- 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium
- IUPAC
- (3-chloro-2-hydroxypropyl)-trimethylazanium
Names & synonyms
82914-58-73-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium3-chloro-2-hydroxypropyltrimethylammoniumJ6UP9J82AKSCHEMBL1415933-Chloro-2-hydroxy-N,N,N-trimethyl-1-propanaminiumSCHEMBL95519421-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-CHEMBL1907414XIUCEANTZSXBQQ-UHFFFAOYSA-DTXSID50274618AB03783
Show more names
1-Chloro-3-trimethylammonium-2-propanolNS00002058(3-chloro-2-hydroxypropyl)-trimethylazanium chlorideInChI=1/C6H15ClNO/c1-8(2,3)5-6(9)4-7/h6,9H,4-5H2,1-3H3/q+1
Database identifiers
- CAS
82914-58-7- PubChem CID
- 18733
- DTXSID
DTXSID50274618- ChEMBL
CHEMBL1907414- UNII
- J6UP9J82AK
- Nikkaji
- J215.783G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 1
- Complexity
- 79.6
Related reactions
2 records
Compound notes
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