CAS
942-79-0 Purity
96%
942-79-0 Purity
96%
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(p-Chlorobenzyl)dimethyl[3-[(1-oxotetradecyl)amino]propyl]ammonium chloride
CAS
94279-03-5
Catalog Number
ACM94279035
Category
Other Products
Molecular Weight
473.562240 [g/mol]
Molecular Formula
C26H46ClN2O.Cl
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Specification
Synonyms
EINECS 304-748-1, (p-Chlorobenzyl)dimethyl(3-((1-oxotetradecyl)amino)propyl)ammoniumchloride, 94279-03-5
IUPAC Name
(4-chlorophenyl)methyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium chloride
Canonical SMILES
CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=C(C=C1)Cl.[Cl-]
InChI Key
OXVVZJAXODXQFF-UHFFFAOYSA-N
EC Number
304-748-1
Exact Mass
472.29900
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 44154265?
The molecular formula is C26H46Cl2N2O.
What is the molecular weight of the compound?
The molecular weight is 473.6 g/mol.
What are some synonyms of the compound?
Some synonyms include EINECS 304-748-1 and 94279-03-5.
What is the IUPAC name of the compound?
The IUPAC name is (4-chlorophenyl)methyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium; chloride.
What is the InChIKey of the compound?
The InChIKey is OXVVZJAXODXQFF-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=C(C=C1)Cl.[Cl-].
How many Hydrogen Bond Donor Count does the compound have?
The compound has 1 Hydrogen Bond Donor Count.
What is the Rotatable Bond Count of the compound?
The Rotatable Bond Count is 18.
What is the Topological Polar Surface Area of the compound?
The Topological Polar Surface Area is 29.1 Å^2.
Is the compound Canonicalized?
Yes, the compound is Canonicalized.
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CAS
94279-02-4 Purity
96%
94279-02-4 Purity
96%
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CAS
94279-05-7 Purity
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94279-05-7 Purity
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