CAS
94276-03-6 Purity
96%
94276-03-6 Purity
96%
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(p-Chlorobenzyl)bis[2-(2-cyanoethoxy)ethyl]methylammonium bromide
CAS
94276-06-9
Catalog Number
ACM94276069
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C18H25BrClN3O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 430.8 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (4-chlorophenyl)methyl-bis[2-(2-cyanoethoxy)ethyl]-methylazanium;bromide.
What is the InChIKey of the compound?
The InChIKey of the compound is RYJQZNNFRQRMLE-UHFFFAOYSA-M.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is C[N+](CCOCCC#N)(CCOCCC#N)CC1=CC=C(C=C1)Cl.[Br-].
What is the CAS number of the compound?
The CAS number of the compound is 94276-06-9.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass of the compound is 429.08187 g/mol.
How many rotatable bond counts does the compound have?
The compound has 12 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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94276-08-1 Purity
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