2-Heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride
Basic information
- CAS
94108-88-0- Standard SMILES
CCCCCCCC1=NCCN1CCO.Cl- InChIKey
OQHKHHVZNBKCHE-UHFFFAOYSA-N- Molecular formula
- C12H25ClN2O
- Average molar mass
- 248.79 g/mol
- Monoisotopic mass
- 248.1655411
Names & identifiers
- Preferred name
- 2-Heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride
- IUPAC
- 2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride
- English name
- 2-heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride
- Molecular formula
- C12H25ClN2O
- Molecular weight
- 248.7927
Names & synonyms
4RL5SPB27M2-Heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochlorideEINECS 302-424-4DTXSID302405931H-IMIDAZOLE-1-ETHANOL, 2-HEPTYL-4,5-DIHYDRO-, HYDROCHLORIDE (1:1)RefChem:87260DTXCID60163084302-424-494108-88-0UNII-4RL5SPB27MOQHKHHVZNBKCHE-UHFFFAOYSA-NNS00091994
Show more names
2-(2-Heptyl-4,5-dihydro-1H-imidazol-1-yl)ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
94108-88-0- PubChem CID
- 44153171
- DTXSID
DTXSID30240593- UNII
- 4RL5SPB27M
- EC Number
- 302-424-4
Properties
Computed structural properties
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- FDA UNII
- 4 RL5SPB27M · 4RL5SPB27M
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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