CAS
93783-31-4 Purity
96%
93783-31-4 Purity
96%
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2-Heptadecyl-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1-h-imidazolium chloride
CAS
93783-42-7
Catalog Number
ACM93783427
Category
Other Products
Molecular Weight
433.111060 [g/mol]
Molecular Formula
C24H49ClN2O2
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Specification
Synonyms
SCHEMBL11253281, EINECS 298-240-6, LP014067, 2-Heptadecyl-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1-H-imidazolium chloride, 2-HEPTADECYL-1,3-BIS(2-HYDROXYETHYL)-4,5-DIHYDROIMIDAZOL-1-IUM CHLORIDE, 93783-42-7
IUPAC Name
2-[2-heptadecyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol;chloride
Canonical SMILES
CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CCO.[Cl-]
InChI Key
ALENBMMXLBTUOC-UHFFFAOYSA-M
EC Number
298-240-6
Exact Mass
432.34800
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 44150072?
The molecular formula is C24H49ClN2O2.
What is the molecular weight of the compound?
The molecular weight is 433.1 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-[2-heptadecyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol;chloride.
What is the Canonical SMILES representation of the compound?
CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CCO.[Cl-]
What is the InChIKey of the compound?
The InChIKey is ALENBMMXLBTUOC-UHFFFAOYSA-M.
What is the CAS number of the compound?
The CAS number is 93783-42-7.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 20 rotatable bond counts.
What is the exact mass of the compound?
The exact mass is 432.3482565 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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