1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)
Basic information
- CAS
53310-26-2- Standard SMILES
CCCC#CC(C)(O)CC[NH+](CC)CC.[Cl-]- InChIKey
IHKWZERAFOLAFA-UHFFFAOYSA-N- Molecular formula
- C13H26ClNO
- Average molar mass
- 247.8 g/mol
- Monoisotopic mass
- 247.1702921
Names & identifiers
- Preferred name
- 1-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)
- IUPAC
- diethyl-(3-hydroxy-3-methyloct-4-ynyl)azanium chloride
Names & synonyms
53310-26-2DTXSID70967914RefChem:1054651DTXCID5013955081-(Diethylamino)-3-methyloct-4-yn-3-ol--hydrogen chloride (1/1)8-(Diethylamino)-3-methyl-4-octyn-3-ol hydrochloride4-OCTYN-3-OL, 8-(DIETHYLAMINO)-3-METHYL-, HYDROCHLORIDE
Database identifiers
- CAS
53310-26-2- PubChem CID
- 40723
Properties
Computed structural properties
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
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Compound notes
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