CAS
93904-94-0 Purity
96%
93904-94-0 Purity
96%
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2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride
CAS
93905-00-1
Catalog Number
ACM93905001
Category
Other Products
Molecular Weight
320.898420 [g/mol]
Molecular Formula
C16H33ClN2O2
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Specification
Synonyms
EINECS 299-835-3, 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride, 93905-00-1
IUPAC Name
2-[3-(2-hydroxyethyl)-2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
Canonical SMILES
CCCCCCC(C)(C)C1=[N+](CCN1CCO)CCO.[Cl-]
InChI Key
FZURCOWWHFBOAE-UHFFFAOYSA-M
EC Number
299-835-3
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride?
The molecular formula is C16H33ClN2O2.
When was 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride created and modified?
It was created on July 11, 2007, and modified on December 30, 2023.
What is the IUPAC name of 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride?
The IUPAC name is 2-[3-(2-hydroxyethyl)-2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol;chloride.
What is the Canonical SMILES for 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride?
The Canonical SMILES is CCCCCCC(C)(C)C1=[N+](CCN1CCO)CCO.[Cl-].
What is the molecular weight of 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride?
The molecular weight is 320.9 g/mol.
What is the InChIKey for 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride?
The InChIKey is FZURCOWWHFBOAE-UHFFFAOYSA-M.
How many hydrogen bond donor counts does 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride have?
It has 2 hydrogen bond donor counts.
What is the exact mass of 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride?
The exact mass is 320.2230560 g/mol.
How many rotatable bond counts does 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride have?
It has 10 rotatable bond counts.
Is 2-(Dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride a canonicalized compound?
Yes, the compound is canonicalized.
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