CAS
94278-98-5 Purity
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94278-98-5 Purity
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(o-Chlorobenzyl)dimethyl[3-[(1-oxotetradecyl)amino]propyl]ammonium chloride
CAS
94279-02-4
Catalog Number
ACM94279024
Category
Other Products
Molecular Weight
473.562240 [g/mol]
Molecular Formula
C26H46Cl2N2O
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Specification
Synonyms
EINECS 304-747-6, (o-Chlorobenzyl)dimethyl(3-((1-oxotetradecyl)amino)propyl)ammoniumchloride, 94279-02-4
IUPAC Name
(2-chlorophenyl)methyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium;chloride
SMILES
CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1Cl.[Cl-]
InChI Key
XWBBYQGVTVRSTE-UHFFFAOYSA-N
EC Number
304-747-6
Exact Mass
472.29900
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C26H46Cl2N2O.
What is the molecular weight of the compound?
The molecular weight of the compound is 473.6 g/mol.
What are the synonyms of the compound?
The synonyms of the compound include EINECS 304-747-6 and 94279-02-4.
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is (2-chlorophenyl)methyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium;chloride.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1Cl.[Cl-].
What is the InChI Key of the compound?
The InChI Key of the compound is XWBBYQGVTVRSTE-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count in the compound.
How many hydrogen bond acceptor counts are there in the compound?
There are 2 hydrogen bond acceptor counts in the compound.
What is the rotatable bond count of the compound?
The rotatable bond count of the compound is 18.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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